SCHEMBL11568358

SCHEMBL11568358

COCC1(N(C(=O)O)c2ccccc2)CCN(CCc2ccccc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.82
OPRD1 P41143 4/20 0.82
OPRK1 P41145 2/20 0.82
SLC22A1 O15245 1/20 0.61
ABCB1 P08183 1/20 0.61

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
SCHEMBL11565181 0.90 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL11569060 0.88 OPRM1 (0.84) OPRM1OPRD1OPRK1SLC22A1ABCB1
Hydrochloric Acid SCHEMBL11565087 0.87 OPRM1 (0.76) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL11803611 0.86 OPRM1 (0.62) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL11559506 0.84 OPRM1 (0.88) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL11565724 0.84 OPRM1 (0.88) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL11566771 0.83 OPRM1 (0.86) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL11798037 0.83 OPRM1 (0.86) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL11564673 0.83 OPRM1 (0.86) OPRM1OPRD1OPRK1SLC22A1ABCB1
Citric Acid SCHEMBL10971572 0.81 OPRM1 (0.70) 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