J-113,397

J-113,397

SCHEMBL6586337

CCn1c(=O)n([C@H]2CCN(CC3CCCCCCC3)C[C@@H]2CO)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 1.00
OPRM1 P35372 11/20 1.00
OPRK1 P41145 6/20 1.00
OPRD1 P41143 2/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39

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
J-113,397 SCHEMBL29623055 1.00 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1DRD2
J-113,397 SCHEMBL12918433 1.00 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1DRD2
J-113,397 SCHEMBL1946862 1.00 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1DRD2
J-113,397 SCHEMBL875219 1.00 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1DRD2
J-113,397 SCHEMBL29623041 1.00 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1DRD2
J-113,397 SCHEMBL4920647 1.00 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1DRD2
J-113,397 SCHEMBL4920487 0.99 OPRL1 (0.98) OPRL1OPRM1OPRK1OPRD1DRD2
J-113,397 SCHEMBL16752513 0.99 OPRL1 (0.98) OPRL1OPRM1OPRK1OPRD1DRD2
J-113,397 SCHEMBL4920476 0.99 OPRL1 (0.98) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL4919683 0.92 OPRL1 (0.85) OPRL1OPRM1OPRK1

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