SCHEMBL3150503

SCHEMBL3150503

CC1(C)CCCN(CCCOc2ccc(C3=CCN(C(=O)c4ccc(/C(=C/C(=O)O)Cc5ccccc5)c5ccccc45)CC3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.51
HRH1 P35367 2/20 0.51
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
MAOB P27338 1/20 0.40
KCNH2 Q12809 2/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PPARG P37231 5/20 0.37
PPARA Q07869 5/20 0.37
ESR1 P03372 1/20 0.37
HRH2 P25021 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL3150514 0.87 HRH3 (0.49) HRH3HRH1S1PR1S1PR3MAOB
SCHEMBL3158474 0.85 HRH3 (0.52) HRH3HRH1S1PR1S1PR3MAOB
SCHEMBL3158460 0.85 HRH3 (0.52) HRH3HRH1S1PR1S1PR3MAOB
SCHEMBL12376851 0.83 GCGR (0.52) HRH3HRH1S1PR1S1PR3MAOB
SCHEMBL4920804 0.83 HRH3 (0.72) HRH3HRH1S1PR1S1PR3MAOB
SCHEMBL3150507 0.83 HRH3 (0.48) HRH3HRH1S1PR1S1PR3MAOB
SCHEMBL3150496 0.83 HRH3 (0.48) HRH3HRH1S1PR1S1PR3MAOB
SCHEMBL2284285 0.82 HRH3 (0.60) HRH3HRH1S1PR1S1PR3MAOB
SCHEMBL13438274 0.68 HRH3 (0.56) HRH3HRH1MAOBKCNH2
SCHEMBL991736 0.67 HRH3 (1.00) HRH3HRH1S1PR1MAOBKCNH2

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