SCHEMBL6584360

SCHEMBL6584360

O=C(NCCn1c(=O)n(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.63
OPRM1 P35372 9/20 0.63
OPRK1 P41145 4/20 0.62
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
ENPP2 Q13822 1/20 0.44
C5AR1 P21730 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL4913804 0.87 OPRL1 (0.66) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4915166 0.83 OPRL1 (0.74) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4918244 0.82 OPRL1 (0.75) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4914528 0.80 OPRL1 (0.72) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL6586004 0.80 OPRL1 (0.66) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4940191 0.80 OPRL1 (0.69) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4921298 0.80 OPRL1 (0.83) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4917717 0.80 OPRL1 (0.75) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4909901 0.79 OPRL1 (0.77) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL4918172 0.78 OPRL1 (0.66) OPRL1OPRM1OPRK1CACNA1GCACNA1H

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