SCHEMBL6903343

SCHEMBL6903343

CC(C)C(N)(c1ccc(C(c2ccc(Cl)cc2)N2CC(=C(c3cc(F)cc(F)c3)S(C)(=O)=O)C2)cc1)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.31
CYP3A5 P20815 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP19A1 P11511 1/20 0.30
MGLL Q99685 1/20 0.30
ABHD6 Q9BV23 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
SLC6A9 P48067 1/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL7085994 1.00 CYP3A4 (0.31) CYP3A4CYP3A5OPRM1OPRD1CYP2D6
SCHEMBL6903888 1.00 CYP3A4 (0.31) CYP3A4CYP3A5OPRM1OPRD1CYP2D6
SCHEMBL674830 0.89 CYP2D6 (0.38) CYP3A4CYP3A5OPRM1OPRD1CYP2D6
SCHEMBL7081162 0.88 OPRM1 (0.34) CYP3A4CYP3A5OPRM1OPRD1CYP2D6
SCHEMBL7088878 0.88 OPRM1 (0.34) CYP3A4CYP3A5OPRM1OPRD1CYP2D6
SCHEMBL7081826 0.88 OPRM1 (0.34) CYP3A4CYP3A5OPRM1OPRD1CYP2D6
SCHEMBL6903798 0.86 OPRM1 (0.35) OPRM1OPRD1CYP2D6CYP19A1DPP8
SCHEMBL6903028 0.86 OPRM1 (0.35) OPRM1OPRD1CYP2D6CYP19A1DPP8
SCHEMBL6905064 0.86 OPRM1 (0.35) OPRM1OPRD1CYP2D6CYP19A1DPP8
SCHEMBL5081545 0.84 OPRD1 (0.39) CYP3A4CYP3A5OPRM1OPRD1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423146-A1 COMPOSITION FOR TREATING PARKINSON'S DISEASE CONTAINING A CB1 RECEPTOR ANTAGONIST AND A PRODUCT ACTIVATING DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN Aventis Pharma S.A. (FR) 2004-06-02 EP claimed
EP-1328269-A2 ASSOCIATION OF THE CB1 RECEPTOR ANTAGONIST AND A SIBUTRAMIN FOR TREATING OBESITY Aventis Pharma S.A. (FR) 2003-07-23 EP claimed
WO-2003018060-A1 COMPOSITION FOR TREATING PARKINSON'S DISEASE CONTAINING A CB1 RECEPTOR ANTAGONIST AND A PRODUCT ACTIVATING DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN AVENTIS PHARMA S.A. (FR) 2003-03-06 WO claimed
WO-2002028346-A2 ASSOCIATION OF THE CB1 RECEPTOR ANTAGONIST AND SIBUTRAMIN, FOR TREATING OBESITY AVENTIS PHARMA S.A. (FR) 2002-04-11 WO claimed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP claimed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO claimed
EP-1328269-A2 ASSOCIATION OF THE CB1 RECEPTOR ANTAGONIST AND A SIBUTRAMIN FOR TREATING OBESITY Aventis Pharma S.A. (FR) 2003-07-23 EP disclosed
WO-2002028346-A2 ASSOCIATION OF THE CB1 RECEPTOR ANTAGONIST AND SIBUTRAMIN, FOR TREATING OBESITY AVENTIS PHARMA S.A. (FR) 2002-04-11 WO disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO disclosed