SCHEMBL15966930

SCHEMBL15966930

COCC(C)NC(=O)CN1CC2C(CNCc3cccc(OC(F)(F)F)c3)C2C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.44
PRMT6 Q96LA8 3/20 0.44
SLC6A9 P48067 7/20 0.41
KCNH2 Q12809 6/20 0.41
GLS O94925 2/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM4 P08173 1/20 0.38
SLC6A5 Q9Y345 2/20 0.38
MAPK14 Q16539 1/20 0.38
ATM Q13315 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37

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
SCHEMBL5513288 0.90 CARM1 (0.45) CARM1PRMT6SLC6A9KCNH2GLS
SCHEMBL5506760 0.88 CARM1 (0.45) CARM1PRMT6SLC6A9KCNH2GLS
SCHEMBL5516112 0.86 GLS (0.43) CARM1PRMT6SLC6A9KCNH2GLS
SCHEMBL15967037 0.85 CARM1 (0.45) CARM1PRMT6SLC6A9KCNH2GLS
SCHEMBL15966929 0.84 GPR139 (0.49) SLC6A9KCNH2CYP2D6CYP3A4
SCHEMBL5513125 0.84 PIM1 (0.45) CARM1PRMT6SLC6A9KCNH2GLS
SCHEMBL5509348 0.84 GLS (0.45) CARM1PRMT6SLC6A9KCNH2GLS
SCHEMBL15967177 0.83 CARM1 (0.43) CARM1PRMT6SLC6A9KCNH2GLS
SCHEMBL5530672 0.83 CHRM4 (0.52) CARM1PRMT6SLC6A9KCNH2GLS
SCHEMBL15967109 0.83 CHRM4 (0.45) CARM1PRMT6SLC6A9KCNH2GLS

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 2 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-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed