SCHEMBL11244959

SCHEMBL11244959

CN(C)C1(c2ccc(Cl)cc2)CCC(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 7/20 0.47
▸ SLC6A4 P31645 6/20 0.47
▸ OPRL1 P41146 9/20 0.46
▸ OPRM1 P35372 6/20 0.42
▸ OPRK1 P41145 3/20 0.42
▸ SLC6A2 P23975 1/20 0.40
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ KDM1A O60341 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
Acetic Acid SCHEMBL11256764 0.91 OPRL1 (0.45) SLC6A3SLC6A4OPRL1OPRM1OPRK1
SCHEMBL5382074 0.81 OPRL1 (0.68) OPRL1OPRM1OPRK1
SCHEMBL11252499 0.76 OPRL1 (0.49) SLC6A3SLC6A4OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL11256767 0.76 OPRL1 (0.43) SLC6A3SLC6A4OPRL1OPRM1
SCHEMBL11803806 0.76 DRD2 (0.58) SLC6A3SLC6A4OPRL1OPRM1OPRK1
SCHEMBL4022665 0.73 OPRM1 (0.44) SLC6A3SLC6A4OPRL1OPRM1OPRK1
SCHEMBL11530130 0.72 OPRL1 (0.49) SLC6A3SLC6A4OPRL1OPRM1OPRK1
SCHEMBL11072865 0.72 OPRL1 (0.38) SLC6A3SLC6A4OPRL1OPRM1OPRK1
SCHEMBL11069061 0.72 OPRL1 (0.75) OPRL1
Hydrochloric Acid SCHEMBL11073610 0.71 OPRL1 (0.76) OPRL1

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-4366172-A ANALGESICS THE UPJOHN COMPANY (US) 1982-12-28 — — US disclosed
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