SCHEMBL5507350

SCHEMBL5507350

Cn1nccc1NC(=O)CN1CC2C(CNCc3cccc(OC(F)(F)F)c3)C2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.46
SLC6A9 P48067 5/20 0.42
KCNH2 Q12809 4/20 0.42
CARM1 Q86X55 3/20 0.42
PRMT6 Q96LA8 3/20 0.42
MAPK1 P28482 1/20 0.42
FLT1 P17948 2/20 0.40
KDR P35968 2/20 0.40
KCNN3 Q9UGI6 1/20 0.39
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 1/20 0.38
SCD O00767 1/20 0.38
DRD4 P21917 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
SCHEMBL5507345 0.85 CCR2 (0.42) GLSSLC6A9KCNH2MAPK1ROCK2
SCHEMBL15967172 0.84 GLS (0.49) GLSSLC6A9KCNH2CARM1PRMT6
SCHEMBL5509111 0.84 KCNA5 (0.48) GLSSLC6A9KCNH2CARM1PRMT6
SCHEMBL5533114 0.84 GLS (0.46) GLSSLC6A9KCNH2CARM1PRMT6
SCHEMBL15967037 0.83 CARM1 (0.45) GLSSLC6A9KCNH2CARM1PRMT6
SCHEMBL5513288 0.83 CARM1 (0.45) GLSSLC6A9KCNH2CARM1PRMT6
SCHEMBL3774870 0.83 DRD4 (0.39) GLSSLC6A9KCNH2MAPK1FLT1
SCHEMBL15967271 0.83 GLS (0.44) GLSFLT1KDRROCK2ROCK1
SCHEMBL5517997 0.82 CARM1 (0.46) GLSSLC6A9KCNH2CARM1PRMT6
SCHEMBL5511375 0.82 GLS (0.44) GLSSLC6A9KCNH2CARM1PRMT6

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