SCHEMBL11712752

SCHEMBL11712752

N#CC(CBr)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
OPRM1 P35372 2/20 0.53
DRD3 P35462 2/20 0.53
CYP2D6 P10635 2/20 0.53
KCNA3 P22001 8/20 0.47
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CHRM3 P20309 6/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
CCR3 P51677 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
SCHEMBL930701 0.83 DRD2 (0.59) ATMDRD2DRD4OPRM1DRD3
SCHEMBL6258542 0.81 DRD2 (0.68) ATMDRD2DRD4OPRM1DRD3
SCHEMBL4484524 0.79 DRD2 (0.56) ATMDRD2DRD4OPRM1DRD3
SCHEMBL5857455 0.79 ATM (0.57) ATMDRD2DRD4OPRM1DRD3
SCHEMBL10796236 0.77 ATM (0.55) ATMDRD2DRD4OPRM1DRD3
SCHEMBL6833922 0.77 ATM (0.55) ATMDRD2DRD4OPRM1DRD3
SCHEMBL651852 0.77 ATM (0.55) ATMDRD2DRD4OPRM1DRD3
SCHEMBL3979738 0.77 CYP2D6 (0.58) ATMDRD2DRD4OPRM1DRD3
SCHEMBL2066381 0.77 ATM (0.55) ATMDRD2DRD4OPRM1DRD3
SCHEMBL11241586 0.77 ATM (0.41) ATMDRD2DRD4OPRM1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4053477-A 5-(1,1-DIPHENYL-3-(4-PHENYLPIPERIDINO)PROPYL)-2-METHYL-1,3,4-OXADIAZOLE AND RELATED COMPOUNDS G. D. SEARLE & CO. (US) 1977-10-11 US disclosed