SCHEMBL11565454

SCHEMBL11565454

CCC(=O)N(c1ccccc1)C1(C(=O)O)CCN(CCc2ccccc2)CC1C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 13/20 0.82
▸ OPRK1 P41145 5/20 0.82
▸ OPRL1 P41146 1/20 0.82
▸ OPRD1 P41143 6/20 0.59
▸ SLC22A1 O15245 1/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ ABCB1 P08183 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ ADRA2B P18089 1/20 0.52
▸ ADRA2C P18825 1/20 0.52
▸ CHRM3 P20309 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ DRD4 P21917 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ HRH1 P35367 1/20 0.52
▸ ADRA1B P35368 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ CHRNA4 P43681 1/20 0.52

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
Lofentanil SCHEMBL11565496 0.90 OPRM1 (1.00) OPRM1OPRK1OPRL1OPRD1
Lofentanil SCHEMBL1649486 0.90 OPRM1 (1.00) OPRM1OPRK1OPRL1OPRD1
Lofentanil SCHEMBL26429 0.90 OPRM1 (1.00) OPRM1OPRK1OPRL1OPRD1
Lofentanil SCHEMBL1952939 0.90 OPRM1 (1.00) OPRM1OPRK1OPRL1OPRD1
Lofentanil SCHEMBL30637157 0.88 OPRM1 (0.96) OPRM1OPRK1OPRL1OPRD1
Lofentanil SCHEMBL29361613 0.88 OPRM1 (0.96) OPRM1OPRK1OPRL1OPRD1
Lofentanil SCHEMBL123003 0.88 OPRM1 (0.96) OPRM1OPRK1OPRL1OPRD1
Lofentanil SCHEMBL18730637 0.81 OPRM1 (0.81) OPRM1OPRK1OPRL1OPRD1
SCHEMBL11567176 0.81 OPRM1 (0.83) OPRM1OPRK1OPRL1OPRD1
SCHEMBL11567179 0.81 OPRM1 (0.83) OPRM1OPRK1OPRL1OPRD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120310140-A1 DIRECTED DELIVERY OF AGENTS TO NEURAL ANATOMY SPINAL MODULATION, INC. (US) 2012-12-06 — — US disclosed
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
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