SCHEMBL5507345

SCHEMBL5507345

Cn1nccc1NC(=O)CN1CC2C(CNC(=O)c3cccc(OC(F)(F)F)c3)C2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
GLS O94925 1/20 0.41
NAMPT P43490 1/20 0.40
CACNA1H O95180 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
CHRM3 P20309 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
DRD4 P21917 1/20 0.38
SLC6A9 P48067 2/20 0.38
BRAF P15056 1/20 0.38
CBLB Q13191 1/20 0.38
MCHR1 Q99705 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL5507350 0.85 GLS (0.46) GLSROCK2DRD4SLC6A9MAPK1
SCHEMBL15967171 0.84 NAMPT (0.44) CCR2GPR139GLSNAMPTTAS1R3
SCHEMBL5509109 0.84 KCNA5 (0.48) CCR2GPR139NAMPTTAS1R3TAS1R1
SCHEMBL15967080 0.84 CCR2 (0.42) CCR2GPR139GLSNAMPTCACNA1H
SCHEMBL15967036 0.83 CCR2 (0.46) CCR2GPR139NAMPTCACNA1HTAS1R3
SCHEMBL5513116 0.83 CACNA1H (0.46) CCR2GPR139NAMPTCACNA1HTAS1R3
SCHEMBL5513284 0.83 GPR139 (0.52) CCR2GPR139NAMPTCACNA1HTAS1R3
SCHEMBL15967270 0.83 ALDH1A1 (0.45) CCR2NAMPTLMNASMN1; SMN2ROCK2
SCHEMBL3774870 0.83 DRD4 (0.39) GLSDRD4SLC6A9MAPK1KCNH2
SCHEMBL5517992 0.82 NAMPT (0.46) CCR2GPR139NAMPTCACNA1HTAS1R3

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