SCHEMBL310181

SCHEMBL310181

O=C(O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3)cc2)N1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.81
SCN3A Q9NY46 9/20 0.59
SCN1A P35498 1/20 0.59
SCN4A P35499 1/20 0.59
SCN7A Q01118 1/20 0.59
SCN5A Q14524 1/20 0.59
SCN9A Q15858 1/20 0.59
SCN2A Q99250 1/20 0.59
SCN8A Q9UQD0 1/20 0.59
SCN10A Q9Y5Y9 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2B6 P20813 1/20 0.58
MAOB P27338 1/20 0.58
CYP2C19 P33261 1/20 0.58
MMP13 P45452 1/20 0.50
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL841063 1.00 KCNH2 (0.81) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL10070711 1.00 KCNH2 (0.81) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL3271427 1.00 KCNH2 (0.81) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL3272031 1.00 KCNH2 (0.81) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL840023 1.00 KCNH2 (0.81) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2835460 0.90 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2839938 0.90 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2835928 0.90 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
Hydrochloric Acid SCHEMBL2831659 0.89 KCNH2 (0.98) KCNH2SCN3ASCN1ASCN4ASCN7A
Hydrochloric Acid SCHEMBL2833145 0.89 KCNH2 (0.98) KCNH2SCN3ASCN1ASCN4ASCN7A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934177-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2012-05-02 EP disclosed
EP-1934177-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2012-05-02 EP disclosed
US-8153681-B2 Method of treating epilepsy by administering 5-(4{[(2-fluorophenyl)methyl]oxy}phenyl)prolinamide Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8153681-B2 Method of treating epilepsy by administering 5-(4{[(2-fluorophenyl)methyl]oxy}phenyl)prolinamide Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8153681-B2 Method of treating epilepsy by administering 5-(4{[(2-fluorophenyl)methyl]oxy}phenyl)prolinamide Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8143306-B2 Methods of treating bipolar disorders Convergence Pharmaceuticals Limited (GB) 2012-03-27 US disclosed
US-8143306-B2 Methods of treating bipolar disorders Convergence Pharmaceuticals Limited (GB) 2012-03-27 US disclosed
US-8143306-B2 Methods of treating bipolar disorders Convergence Pharmaceuticals Limited (GB) 2012-03-27 US disclosed
US-8093268-B2 Pharmaceutical compositions comprising 2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl-benzyl)-(2S-phenylpiperidin-3S-yl-) GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-8093268-B2 Pharmaceutical compositions comprising 2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl-benzyl)-(2S-phenylpiperidin-3S-yl-) GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
WO-2008090114-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5- (5-TRIFLUOROMETHYL-TETRAZOL-I-YL-BENZYL) - (2S-PHENYL-PIPERIDIN-3S-YL-) GLAXO GROUP LIMITED (GB) 2008-07-31 WO disclosed
WO-2008090116-A1 NOVEL PHARMACEUTICAL COMPOSITIONS GLAXO GROUP LIMITED (GB) 2008-07-31 WO disclosed
WO-2008090117-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3, 5-DIAMIN0-6- (2, 3-DICHL0PHENYL) -L, 2, 4-TRIAZINE OR R (-) -2, 4-DIAMINO-5- (2, 3-DICHLOROPHENYL) -6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2008-07-31 WO disclosed
WO-2008090115-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2008-07-31 WO disclosed
EP-1934176-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2008-06-25 EP disclosed
EP-1934177-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2008-06-25 EP disclosed
WO-2007042239-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
WO-2007042239-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
WO-2007042250-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed