SCHEMBL8145779

SCHEMBL8145779

CCN(CC)C(=O)c1ccc(Cc2cccc(O)c2N2C[C@@H](C)NC[C@H]2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.40
OPRM1 P35372 5/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
OPRK1 P41145 2/20 0.36
HPGD P15428 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 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
SCHEMBL5311342 1.00 OPRD1 (0.40) OPRD1OPRM1HSP90AA1HSP90AB1OPRK1
SCHEMBL4575462 1.00 OPRD1 (0.40) OPRD1OPRM1HSP90AA1HSP90AB1OPRK1
SCHEMBL8004084 0.84 OPRD1 (0.37) OPRD1OPRM1HSP90AA1HSP90AB1OPRK1
SCHEMBL6918646 0.82 CYP1A2 (0.47) OPRD1OPRM1OPRK1HPGDCYP1A2
SCHEMBL6937908 0.82 GAA (0.35) OPRD1HPGDALDH1A1MAPT
SCHEMBL7993545 0.80 CYP3A4 (0.54) OPRD1OPRM1OPRK1HPGDCYP1A2
SCHEMBL8009424 0.80 CYP3A4 (0.54) OPRD1OPRM1OPRK1HPGDCYP1A2
SCHEMBL4591245 0.80 CYP3A4 (0.54) OPRD1OPRM1OPRK1HPGDCYP1A2
SCHEMBL8002856 0.80 CYP3A4 (0.54) OPRD1OPRM1OPRK1HPGDCYP1A2
SCHEMBL6246739 0.75 HSP90AA1 (0.56) HSP90AA1HSP90AB1HPGDCYP1A2ALDH1A1

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-0938317-A4 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS INC (US) 2000-08-23 EP claimed
EP-0938317-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS, INC. (US) 1999-09-01 EP claimed
WO-1997046240-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS, INC. (US) 1997-12-11 WO claimed