SCHEMBL6173648

SCHEMBL6173648

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

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 0.84
OPRD1 P41143 20/20 0.84
OPRK1 P41145 20/20 0.84

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
Oxalic Acid SCHEMBL6176266 0.96 OPRM1 (0.78) OPRM1OPRD1OPRK1
Fumaric Acid SCHEMBL6174172 0.94 OPRM1 (0.76) OPRM1OPRD1OPRK1
Fumaric Acid SCHEMBL6174165 0.94 OPRM1 (0.76) OPRM1OPRD1OPRK1
SCHEMBL8145353 0.89 OPRD1 (0.74) OPRM1OPRD1OPRK1
SCHEMBL6334592 0.88 OPRD1 (0.86) OPRM1OPRD1OPRK1
SCHEMBL6175709 0.87 OPRM1 (0.82) OPRM1OPRD1OPRK1
SCHEMBL6327345 0.85 OPRD1 (0.86) OPRM1OPRD1OPRK1
SCHEMBL6326841 0.85 OPRD1 (0.84) OPRM1OPRD1OPRK1
SCHEMBL6325512 0.85 OPRD1 (0.84) OPRM1OPRD1OPRK1
SCHEMBL6328161 0.85 OPRD1 (0.84) 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