SCHEMBL5530672

SCHEMBL5530672

O=C(CN1CC2C(CNCc3cccc(OC(F)(F)F)c3)C2C1)NCC1CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.52
GLS O94925 7/20 0.46
SLC6A9 P48067 3/20 0.45
KCNH2 Q12809 3/20 0.45
CARM1 Q86X55 2/20 0.43
PRMT6 Q96LA8 2/20 0.43
MAPK14 Q16539 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCN9A Q15858 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL5509348 0.90 GLS (0.45) CHRM4GLSSLC6A9KCNH2CARM1
SCHEMBL15967109 0.89 CHRM4 (0.45) CHRM4GLSSLC6A9KCNH2CARM1
SCHEMBL5513125 0.88 PIM1 (0.45) CHRM4GLSSLC6A9KCNH2CARM1
SCHEMBL15966995 0.87 CHRM4 (0.44) CHRM4GLSSLC6A9KCNH2CARM1
SCHEMBL15967197 0.87 CHRM4 (0.44) CHRM4GLSSLC6A9KCNH2CARM1
SCHEMBL5513288 0.87 CARM1 (0.45) CHRM4GLSSLC6A9KCNH2CARM1
SCHEMBL15967037 0.87 CARM1 (0.45) CHRM4GLSSLC6A9KCNH2CARM1
SCHEMBL15967223 0.86 CHRM4 (0.44) CHRM4GLSSLC6A9KCNH2CARM1
SCHEMBL5506760 0.86 CARM1 (0.45) CHRM4GLSSLC6A9KCNH2CARM1
SCHEMBL5516112 0.86 GLS (0.43) CHRM4GLSSLC6A9KCNH2CARM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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