SCHEMBL5506923

SCHEMBL5506923

Cc1ccc(CCN2CC3C(CNC(=O)c4cccc(OC(F)(F)F)c4)C3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.50
CCR2 P41597 3/20 0.49
KCNH2 Q12809 2/20 0.46
NAMPT P43490 1/20 0.46
CHRM3 P20309 1/20 0.44
CACNA1H O95180 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
GPR139 Q6DWJ6 1/20 0.42
DDR1 Q08345 2/20 0.42

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
SCHEMBL5511231 0.92 NAMPT (0.50) MCHR1CCR2KCNH2NAMPTCHRM3
SCHEMBL15967010 0.91 CCR2 (0.54) MCHR1CCR2KCNH2NAMPTCHRM3
SCHEMBL5517618 0.86 NAMPT (0.48) MCHR1CCR2KCNH2NAMPTCHRM3
SCHEMBL15967168 0.85 CCR2 (0.50) MCHR1CCR2KCNH2NAMPTCHRM3
SCHEMBL5510879 0.85 CACNA1H (0.60) MCHR1CCR2KCNH2NAMPTCHRM3
SCHEMBL5510523 0.85 GPR139 (0.49) MCHR1CCR2KCNH2NAMPTCHRM3
SCHEMBL5506744 0.85 NAMPT (0.49) MCHR1CCR2KCNH2NAMPTCHRM3
SCHEMBL3775181 0.84 NAMPT (0.51) MCHR1CCR2KCNH2NAMPTCHRM3
SCHEMBL15966996 0.84 CHRM3 (0.53) MCHR1CCR2KCNH2NAMPTCHRM3
SCHEMBL5512182 0.84 CCR2 (0.55) MCHR1CCR2KCNH2NAMPTCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP claimed
EP-1869019-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS Pfizer Products Incorporated (US) 2007-12-26 EP claimed
WO-2006106425-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2006-10-12 WO claimed
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed