SCHEMBL7739346

SCHEMBL7739346

CCn1c(=O)n(C2CCN(CC3CCCCCCC3)CC2CCC=O)c2ccccc21.CCn1c(=O)n(C2CCN(CC3CCCCCCC3)CC2CCCO)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 17/20 0.73
OPRM1 P35372 11/20 0.73
OPRK1 P41145 6/20 0.73
SIGMAR1 Q99720 2/20 0.35
OPRD1 P41143 2/20 0.34

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
SCHEMBL6589497 0.94 OPRL1 (0.76) OPRL1OPRM1OPRK1OPRD1
SCHEMBL4918155 0.94 OPRL1 (0.82) OPRL1OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL4915159 0.89 OPRL1 (0.85) OPRL1OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL4918269 0.85 OPRL1 (0.76) OPRL1OPRM1OPRK1OPRD1
SCHEMBL6582318 0.85 OPRL1 (0.79) OPRL1OPRM1OPRK1OPRD1
J-113,397 SCHEMBL4920647 0.85 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1
J-113,397 SCHEMBL29623055 0.85 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1
J-113,397 SCHEMBL875219 0.85 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1
J-113,397 SCHEMBL29623041 0.85 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1
J-113,397 SCHEMBL6586337 0.85 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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