SCHEMBL5510658

SCHEMBL5510658

O=c1cccc(CN2CC3C(CNCc4cccc(OC(F)(F)F)c4)C3C2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.43
PRMT6 Q96LA8 3/20 0.43
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
OPRM1 P35372 1/20 0.41
DAO P14920 1/20 0.38
SLC6A9 P48067 2/20 0.38
KCNH2 Q12809 2/20 0.38
CHRM3 P20309 3/20 0.38
TEAD1 P28347 1/20 0.37
DRD4 P21917 1/20 0.37
CHRM4 P08173 1/20 0.37
MMP13 P45452 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
NAMPT P43490 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
MAPK14 Q16539 1/20 0.36
GRM2 Q14416 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
SCHEMBL5510494 0.87 CARM1 (0.44) CARM1PRMT6CTSDBACE1OPRM1
SCHEMBL708522 0.86 CARM1 (0.50) CARM1PRMT6CTSDBACE1OPRM1
SCHEMBL5505039 0.83 DRD2 (0.43) CARM1PRMT6CTSDBACE1OPRM1
SCHEMBL712568 0.83 BACE1 (0.48) CARM1PRMT6CTSDBACE1SLC6A9
SCHEMBL5518370 0.82 CARM1 (0.42) CARM1PRMT6CTSDBACE1SLC6A9
SCHEMBL710204 0.82 CXCR4 (0.45) CARM1PRMT6CTSDBACE1OPRM1
SCHEMBL15967021 0.81 CARM1 (0.43) CARM1PRMT6CTSDBACE1SLC6A9
SCHEMBL5510651 0.81 CHRM3 (0.46) KCNH2CHRM3TEAD1NAMPT
SCHEMBL5514667 0.81 CARM1 (0.46) CARM1PRMT6CTSDBACE1OPRM1
SCHEMBL5512185 0.81 CARM1 (0.48) CARM1PRMT6CTSDBACE1SLC6A9

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