SCHEMBL6915923

SCHEMBL6915923

C=CCN1C[C@H](C)N(c2c(O)cccc2Cc2cccc(C(=O)O)c2)C[C@H]1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.43
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL9212660 0.86 KDM4E (0.41) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4576511 0.83 OPRD1 (0.59) OPRD1
SCHEMBL4591245 0.81 CYP3A4 (0.54) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL8009424 0.81 CYP3A4 (0.54) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL7993545 0.81 CYP3A4 (0.54) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL8009013 0.78 OPRD1 (0.34) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL8004080 0.78 OPRD1 (0.34) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL8002904 0.78 OPRD1 (0.34) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL8160003 0.74 OPRD1 (0.41) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL8930486 0.73 OPRD1 (0.55) OPRD1OPRM1

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
WO-2003057223-A9 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS INC (US) 2004-04-29 WO disclosed