SCHEMBL8553572

SCHEMBL8553572

CC(N1CCC2(CC1)OCc1ccccc12)N1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
AVPR1A P37288 2/20 0.51
OPRD1 P41143 1/20 0.49

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
SCHEMBL12964441 0.91 SIGMAR1 (0.52) SIGMAR1AVPR1AOPRD1
SCHEMBL12964404 0.85 SIGMAR1 (0.48) SIGMAR1AVPR1A
SCHEMBL12964401 0.85 SIGMAR1 (0.48) SIGMAR1AVPR1A
SCHEMBL14112077 0.85 SIGMAR1 (0.47) SIGMAR1AVPR1AOPRD1
SCHEMBL8557116 0.84 SIGMAR1 (0.52) SIGMAR1AVPR1A
SCHEMBL6919513 0.83 SIGMAR1 (0.57) SIGMAR1OPRD1
SCHEMBL19121681 0.81 SIGMAR1 (0.59) SIGMAR1
SCHEMBL8554713 0.79 SIGMAR1 (0.48) SIGMAR1AVPR1A
SCHEMBL9615977 0.79 SIGMAR1 (0.54) SIGMAR1AVPR1AOPRD1
SCHEMBL24507144 0.79 SIGMAR1 (0.59) SIGMAR1AVPR1AOPRD1

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-0649407-B1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES LUNDBECK & CO AS H (DK) 1998-08-05 EP claimed
EP-0649407-B1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES LUNDBECK & CO AS H (DK) 1998-08-05 EP disclosed