SCHEMBL6175709

SCHEMBL6175709

CCCN1CCC(N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)CC1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.82
OPRD1 P41143 11/20 0.82
OPRK1 P41145 10/20 0.82

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
Fumaric Acid SCHEMBL6176275 0.95 OPRM1 (0.77) OPRM1OPRD1OPRK1
Fumaric Acid SCHEMBL6176280 0.95 OPRM1 (0.77) OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6171569 0.90 OPRD1 (0.67) OPRM1OPRD1OPRK1
SCHEMBL6173648 0.87 OPRM1 (0.84) OPRM1OPRD1OPRK1
SCHEMBL8145353 0.87 OPRD1 (0.74) OPRM1OPRD1OPRK1
SCHEMBL4499129 0.85 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL6329556 0.85 OPRD1 (0.88) OPRM1OPRD1OPRK1
SCHEMBL6336091 0.85 OPRD1 (0.85) OPRM1OPRD1OPRK1
SCHEMBL6334645 0.84 OPRD1 (0.85) OPRM1OPRD1OPRK1
SCHEMBL6332701 0.84 OPRD1 (0.85) OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049676-B1 4- ARYL(PIPERIDIN-4-YL)] AMINOBENZAMIDES WHICH BIND TO THE DELTA-OPIOID RECEPTOR ORTHO MCNEIL PHARM INC (US) 2005-10-12 EP disclosed
US-6436959-B1 DELTA-OPIOID RECEPTOR AGONISTS/ANTAGONISTS, ANALGESICS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-20 US disclosed
EP-1049676-A1 4- ARYL(PIPERIDIN-4-YL)] AMINOBENZAMIDES WHICH BIND TO THE DELTA-OPIOID RECEPTOR Ortho-Mcneil Pharmaceutical, Inc. (US) 2000-11-08 EP disclosed
WO-1999033806-A1 4-[ARYL(PIPERIDIN-4-YL)] AMINOBENZAMIDES WHICH BIND TO THE DELTA-OPIOID RECEPTOR ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-07-08 WO disclosed