SCHEMBL5513876

SCHEMBL5513876

FC(F)(F)Oc1cccc(CNCC2C3CN(Cc4nc5ccccc5[nH]4)CC23)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
DRD4 P21917 6/20 0.42
CARM1 Q86X55 3/20 0.40
PRMT6 Q96LA8 3/20 0.40
OPRM1 P35372 1/20 0.40
PDE10A Q9Y233 3/20 0.40
HTT P42858 1/20 0.40
DRD3 P35462 3/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1B Q00975 1/20 0.38
KCNH2 Q12809 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
SCHEMBL15967068 0.86 PDE10A (0.41) CARM1PRMT6OPRM1PDE10ACTSD
SCHEMBL5505039 0.84 DRD2 (0.43) DRD4CARM1PRMT6OPRM1DRD3
SCHEMBL5511564 0.83 CARM1 (0.42) DRD4CARM1PRMT6CTSDBACE1
SCHEMBL708522 0.83 CARM1 (0.50) DRD4CARM1PRMT6OPRM1CTSD
SCHEMBL15967094 0.82 SLC40A1 (0.43) DRD4PDE10ACACNA1GCACNA1BKCNH2
SCHEMBL5511022 0.81 CARM1 (0.40) DRD4CARM1PRMT6CYP2D6CTSD
SCHEMBL5506387 0.81 HDAC3 (0.46) DRD4CARM1PRMT6OPRM1CTSD
SCHEMBL5518183 0.80 KMT2A (0.47) DRD4CARM1PRMT6OPRM1HTT
SCHEMBL712568 0.80 BACE1 (0.48) DRD4CARM1PRMT6DRD3CTSD
SCHEMBL5510494 0.80 CARM1 (0.44) DRD4CARM1PRMT6OPRM1CTSD

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