SCHEMBL4598567

SCHEMBL4598567

CCCCCN1C[C@@H](C)N(C(c2ccc(S(=O)(=O)N(C)C)cc2)c2cccc(O)c2)C[C@H]1C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL6937313 0.89 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6935747 0.89 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6935750 0.89 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6934879 0.85 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6935988 0.85 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6938398 0.85 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6934885 0.85 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6935991 0.85 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6932886 0.85 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9HPGDOPRM1
SCHEMBL6374535 0.85 OPRD1 (0.68) CYP1A2CYP3A4CYP2C9HPGDOPRM1

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-1469850-A4 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS INC (US) 2008-03-12 — — EP disclosed
EP-1469850-A1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS Ardent Pharmaceuticals, Inc. (US) 2004-10-27 — — EP disclosed
WO-2003057223-A1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS, INC. (US) 2003-07-17 — — WO disclosed
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