SCHEMBL5509348

SCHEMBL5509348

O=C(CN1CC2C(CNCc3cccc(OC(F)(F)F)c3)C2C1)NCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.45
CETP P11597 2/20 0.45
CARM1 Q86X55 2/20 0.43
PRMT6 Q96LA8 2/20 0.43
MAPK14 Q16539 1/20 0.43
CHRM4 P08173 1/20 0.43
SLC6A9 P48067 4/20 0.42
KCNH2 Q12809 4/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
NAMPT P43490 1/20 0.41
CHRM3 P20309 1/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL5513125 0.93 PIM1 (0.45) GLSCARM1PRMT6MAPK14CHRM4
SCHEMBL5530672 0.90 CHRM4 (0.52) GLSCARM1PRMT6MAPK14CHRM4
SCHEMBL15967037 0.88 CARM1 (0.45) GLSCARM1PRMT6MAPK14CHRM4
SCHEMBL15967109 0.88 CHRM4 (0.45) GLSCARM1PRMT6MAPK14CHRM4
SCHEMBL5513288 0.88 CARM1 (0.45) GLSCARM1PRMT6MAPK14CHRM4
SCHEMBL5506760 0.87 CARM1 (0.45) GLSCARM1PRMT6MAPK14CHRM4
SCHEMBL5516112 0.87 GLS (0.43) GLSCARM1PRMT6MAPK14CHRM4
SCHEMBL5509111 0.87 KCNA5 (0.48) GLSCARM1PRMT6MAPK14CHRM4
SCHEMBL15967177 0.86 CARM1 (0.43) GLSCARM1PRMT6MAPK14CHRM4
SCHEMBL15967197 0.86 CHRM4 (0.44) GLSCETPCARM1PRMT6MAPK14

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