SCHEMBL11564147

SCHEMBL11564147

CCC(=O)N(c1ccccc1)C1(COC)CCN(C(C)Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.68
OPRD1 P41143 4/20 0.68
OPRK1 P41145 2/20 0.68
SLC22A1 O15245 1/20 0.56
ABCB1 P08183 1/20 0.56

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
Hydrochloric Acid SCHEMBL11566398 0.87 OPRM1 (0.67) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL11563405 0.83 OPRM1 (0.68) OPRM1OPRD1OPRK1
SCHEMBL11566837 0.83 OPRM1 (0.62) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL3162283 0.83 OPRM1 (0.80) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL11567263 0.83 OPRM1 (0.53) OPRM1OPRD1OPRK1
SCHEMBL11565824 0.82 OPRM1 (0.61) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL10436786 0.82 OPRM1 (0.65) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL11518793 0.81 OPRM1 (0.72) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL11565181 0.81 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1ABCB1
Hydrochloric Acid SCHEMBL11455537 0.81 OPRM1 (0.59) OPRM1OPRD1OPRK1SLC22A1ABCB1

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
US-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 US disclosed