SCHEMBL3158474

SCHEMBL3158474

CC1(C)CCCN(CCCOc2ccc(C3=CCN(C(=O)c4ccc(C=CC(=O)O)c5ccccc45)CC3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.52
HRH1 P35367 1/20 0.52
MAOB P27338 1/20 0.41
KCNH2 Q12809 5/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
ADRA1A P35348 4/20 0.37

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
SCHEMBL3158460 1.00 HRH3 (0.52) HRH3HRH1MAOBKCNH2MEN1
SCHEMBL3150507 0.91 HRH3 (0.48) HRH3HRH1MAOBKCNH2S1PR1
SCHEMBL3150496 0.91 HRH3 (0.48) HRH3HRH1MAOBKCNH2S1PR1
SCHEMBL3150514 0.87 HRH3 (0.49) HRH3HRH1MAOBKCNH2S1PR1
SCHEMBL3150503 0.85 HRH3 (0.51) HRH3HRH1MAOBKCNH2S1PR1
SCHEMBL12376851 0.84 GCGR (0.52) HRH3HRH1MAOBKCNH2MEN1
SCHEMBL4920804 0.84 HRH3 (0.72) HRH3HRH1MAOBKCNH2MEN1
SCHEMBL2284285 0.80 HRH3 (0.60) HRH3HRH1MAOBKCNH2S1PR1
SCHEMBL991736 0.68 HRH3 (1.00) HRH3HRH1MAOBKCNH2S1PR1
SCHEMBL13437974 0.68 HRH3 (0.56) HRH3HRH1MAOBKCNH2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157087-A1 3-(4-{[4-(4-{[3-(3,3-DIMETHYL-1-PIPERIDINYL)PROPYL]OXY}PHENYL)-1-PIPERIDINYL]CARBONYL}-1-NAPHTHALENYL)PROPANOIC OR PROPENOIC ACID AS H1 AND H3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND/OR ALLERGIC DISORDERS GLAXO GROUP LIMITED (GB) 2010-02-24 EP disclosed
EP-1963307-B1 3- (4- { [4-(4-{ [3-(3, 3-DIMETHYL-1-PIPERIDINYL) PROPYL[0XY] PHENYL) -1-PIPERIDINYL CARBONYL }-1-NAPHTHALENYL) PROPANOIC OR PROPENOIC ACID AS H1 AND H3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND/OR ALLERGIC DISORDERS GLAXO GROUP LTD (GB) 2009-11-25 EP disclosed