SCHEMBL6586300

SCHEMBL6586300

CC(C)(C)OC(=O)N(CCn1c(=O)n(C2CCN(CC3CCCCCCC3)CC2CN)c2ccccc21)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.58
OPRM1 P35372 10/20 0.58
OPRK1 P41145 3/20 0.58
TACR1 P25103 1/20 0.36
ENPP2 Q13822 1/20 0.36
PARP1 P09874 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL6585417 0.86 OPRL1 (0.51) OPRL1OPRM1OPRK1TACR1CYP2D6
SCHEMBL6585509 0.86 OPRL1 (0.51) OPRL1OPRM1OPRK1TACR1CYP2D6
SCHEMBL6585514 0.86 OPRL1 (0.51) OPRL1OPRM1OPRK1TACR1CYP2D6
SCHEMBL6587601 0.86 OPRL1 (0.51) OPRL1OPRM1OPRK1TACR1CYP2D6
SCHEMBL6585420 0.86 OPRL1 (0.51) OPRL1OPRM1OPRK1TACR1CYP2D6
SCHEMBL6586638 0.86 OPRL1 (0.64) OPRL1OPRM1OPRK1ENPP2PARP1
SCHEMBL4921253 0.81 OPRL1 (0.81) OPRL1OPRM1OPRK1ENPP2
SCHEMBL4921256 0.81 OPRL1 (0.81) OPRL1OPRM1OPRK1ENPP2
SCHEMBL4921328 0.79 OPRL1 (0.61) OPRL1OPRM1OPRK1ENPP2PARP1
SCHEMBL4910560 0.79 OPRL1 (0.78) OPRL1OPRM1OPRK1CYP2D6

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
EP-0990653-B1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-6258825-B1 ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-07-10 US disclosed
EP-0990653-A1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed