SCHEMBL11362121

SCHEMBL11362121

OC1(c2cccc(Cl)c2)CC[N]CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
DRD2 P14416 3/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 7/20 0.42
SLC6A4 P31645 6/20 0.42
CCR1 P32246 2/20 0.41
SLC6A2 P23975 5/20 0.40
CHRNA1 P02708 3/20 0.39
CHRNG P07510 3/20 0.39
CHRNB1 P11230 3/20 0.39
CHRNB2 P17787 3/20 0.39
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
CHRNA4 P43681 3/20 0.39
CHRND Q07001 3/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL1155345 0.87 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL28323043 0.83 SLC6A3 (0.50) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL27681431 0.83 SLC6A4 (0.54) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL1154800 0.81 SLC6A4 (0.57) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL652461 0.79 DRD2 (0.62) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3639977 0.79 OPRL1 (0.52) OPRM1OPRD1OPRK1OPRL1SLC6A3
SCHEMBL11796632 0.77 KCNA3 (0.48) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL216848 0.77 DRD2 (0.60) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL42581 0.77 OPRL1 (0.52) OPRM1OPRD1OPRK1OPRL1
SCHEMBL11560742 0.76 OPRD1 (0.52) OPRM1OPRD1OPRK1OPRL1DRD2

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-4252804-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS METABIO-JOULLIE (FR) 1981-02-24 US disclosed