SCHEMBL15967010

SCHEMBL15967010

Cc1ccc(CN2CC3C(CNC(=O)c4cccc(OC(F)(F)F)c4)C3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.54
CHRM3 P20309 1/20 0.49
MCHR1 Q99705 2/20 0.47
TEAD1 P28347 1/20 0.46
NAMPT P43490 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
KCNH2 Q12809 2/20 0.44
ABL1 P00519 1/20 0.44
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
GPR139 Q6DWJ6 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
DDR1 Q08345 1/20 0.43
HTR2C P28335 1/20 0.42
CHRM4 P08173 1/20 0.42
CACNA1H O95180 1/20 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
SCHEMBL5512182 0.93 CCR2 (0.55) CCR2CHRM3MCHR1TEAD1NAMPT
SCHEMBL15967168 0.93 CCR2 (0.50) CCR2CHRM3MCHR1TEAD1NAMPT
SCHEMBL15966996 0.92 CHRM3 (0.53) CCR2CHRM3MCHR1NAMPTTAS1R3
SCHEMBL5513310 0.92 CCR2 (0.53) CCR2CHRM3MCHR1TEAD1NAMPT
SCHEMBL5510926 0.91 CCR2 (0.64) CCR2CHRM3MCHR1TEAD1NAMPT
SCHEMBL5514654 0.91 CCR2 (0.55) CCR2CHRM3MCHR1TEAD1NAMPT
SCHEMBL5506923 0.91 MCHR1 (0.50) CCR2CHRM3MCHR1NAMPTTAS1R3
SCHEMBL5518151 0.90 CCR2 (0.54) CCR2CHRM3MCHR1TEAD1NAMPT
SCHEMBL5509524 0.90 CCR2 (0.52) CCR2CHRM3MCHR1TEAD1NAMPT
SCHEMBL5509369 0.90 CCR2 (0.53) CCR2CHRM3MCHR1TEAD1NAMPT

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-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-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed