SCHEMBL5514654

SCHEMBL5514654

O=C(NCC1C2CN(Cc3ccc(F)cc3)CC12)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.55
CHRM3 P20309 1/20 0.50
MCHR1 Q99705 2/20 0.47
TEAD1 P28347 1/20 0.46
NAMPT P43490 2/20 0.46
HSD11B1 P28845 1/20 0.46
ABL1 P00519 1/20 0.44
KCNH2 Q12809 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
HTR2A P28223 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR2C P28335 1/20 0.43
GAA P10253 1/20 0.43
CHRM4 P08173 1/20 0.43
CCR3 P51677 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
GPR139 Q6DWJ6 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 0.92 CCR2 (0.55) CCR2CHRM3MCHR1TEAD1NAMPT
SCHEMBL5510926 0.92 CCR2 (0.64) CCR2CHRM3MCHR1TEAD1NAMPT
SCHEMBL5514665 0.92 CCR2 (0.51) CCR2CHRM3MCHR1TEAD1NAMPT
SCHEMBL15967104 0.91 CHRM3 (0.54) CCR2CHRM3MCHR1NAMPTABL1
SCHEMBL15967010 0.91 CCR2 (0.54) CCR2CHRM3MCHR1TEAD1NAMPT
SCHEMBL5509369 0.91 CCR2 (0.53) CCR2CHRM3MCHR1TEAD1NAMPT
SCHEMBL5513310 0.91 CCR2 (0.53) CCR2CHRM3MCHR1TEAD1NAMPT
SCHEMBL5511190 0.91 CCR2 (0.53) CCR2CHRM3MCHR1TEAD1NAMPT
SCHEMBL5505979 0.90 CCR2 (0.53) CCR2CHRM3MCHR1TEAD1NAMPT
SCHEMBL5510875 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 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