SCHEMBL8751549

SCHEMBL8751549

Cc1ccc(C2(O)CCCNC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.41
OPRK1 P41145 3/20 0.41
OPRL1 P41146 3/20 0.41
DRD2 P14416 1/20 0.41
OPRD1 P41143 2/20 0.39
SLC6A2 P23975 5/20 0.38
SLC6A3 Q01959 5/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRND Q07001 1/20 0.38
SLC6A4 P31645 4/20 0.38
KCNH2 Q12809 1/20 0.38
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL1239489 0.82 DRD2 (0.41) OPRM1OPRK1OPRL1DRD2OPRD1
SCHEMBL21944503 0.82 DRD2 (0.41) OPRM1OPRK1OPRL1DRD2OPRD1
SCHEMBL1764933 0.81 HTR2A (0.50) OPRM1OPRK1OPRL1DRD2OPRD1
SCHEMBL15093858 0.81 HTR2A (0.50) OPRM1OPRK1OPRL1DRD2OPRD1
SCHEMBL15093618 0.81 HTR2A (0.50) OPRM1OPRK1OPRL1DRD2OPRD1
SCHEMBL8959911 0.81 OPRM1 (0.43) OPRM1OPRK1OPRL1DRD2OPRD1
SCHEMBL19525073 0.81 OPRM1 (0.44) OPRM1OPRK1OPRL1DRD2OPRD1
SCHEMBL13144705 0.80 OPRM1 (0.45) OPRM1OPRK1OPRL1OPRD1SLC6A2
Hydrochloric Acid SCHEMBL10754178 0.80 HTR2A (0.48) OPRM1OPRK1OPRL1DRD2OPRD1
Bromide SCHEMBL7252604 0.80 HTR2A (0.48) OPRM1OPRK1OPRL1DRD2OPRD1

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-0766562-A1 THERAPEUTICAL COMPOSITIONS COMPRISING 3-PHENYL-3-HYDROXYPIPERIDINES LABORATOIRE L. LAFON (FR) 1997-04-09 EP disclosed
EP-0691956-A1 3-PHENYL-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEDATIVES LABORATOIRE L. LAFON (FR) 1996-01-17 EP disclosed
WO-1996000064-A1 THERAPEUTICAL COMPOSITIONS COMPRISING 3-PHENYL-3-HYDROXYPIPERIDINES LABORATOIRE L. LAFON (FR) 1996-01-04 WO disclosed
WO-1994022827-A1 3-PHENYL-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEDATIVES LABORATOIRE L. LAFON (FR) 1994-10-13 WO disclosed