SCHEMBL5511375

SCHEMBL5511375

O=C(CN1CC2C(CNCc3cccc(OC(F)(F)F)c3)C2C1)Nc1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.44
SLC6A9 P48067 6/20 0.41
KCNH2 Q12809 5/20 0.41
ROCK2 O75116 2/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
ROCK1 Q13464 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
ENPP2 Q13822 2/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CHRM4 P08173 1/20 0.36
SCD O00767 1/20 0.36

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
SCHEMBL15967172 0.86 GLS (0.49) GLSSLC6A9KCNH2ROCK2CARM1
SCHEMBL15967135 0.85 CCR2 (0.42) GLSROCK2ROCK1DRD4
SCHEMBL5509111 0.84 KCNA5 (0.48) GLSSLC6A9KCNH2CARM1PRMT6
SCHEMBL15967271 0.83 GLS (0.44) GLSROCK2ROCK1KDM5AKDM4C
SCHEMBL5507350 0.82 GLS (0.46) GLSSLC6A9KCNH2ROCK2CARM1
SCHEMBL5533114 0.82 GLS (0.46) GLSSLC6A9KCNH2CARM1PRMT6
SCHEMBL5511564 0.82 CARM1 (0.42) SLC6A9KCNH2ROCK2CARM1PRMT6
SCHEMBL5509348 0.82 GLS (0.45) GLSSLC6A9KCNH2ROCK2CARM1
SCHEMBL15967037 0.81 CARM1 (0.45) GLSSLC6A9KCNH2ROCK2CARM1
SCHEMBL5530672 0.81 CHRM4 (0.52) GLSSLC6A9KCNH2ROCK2CARM1

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