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Sugi Predict / Compounds / SCHEMBL4772641

SCHEMBL4772641

SCHEMBL4772641

CC(C)c1ccc(S(=O)(=O)n2cc(C(C)N3CCN(C)CC3)c3ccccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 19/20 0.69
▸ CYP3A4 P08684 6/20 0.69
▸ CYP2D6 P10635 6/20 0.69
▸ CHRM2 P08172 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ HTR2A P28223 1/20 0.49

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
SCHEMBL947230 1.00 HTR6 (0.69) HTR6CYP3A4CYP2D6CHRM2CHRM1
SCHEMBL946272 1.00 HTR6 (0.69) HTR6CYP3A4CYP2D6CHRM2CHRM1
SCHEMBL945926 0.91 HTR6 (0.62) HTR6CYP3A4CYP2D6CHRM2CHRM1
SCHEMBL4775446 0.91 HTR6 (0.62) HTR6CYP3A4CYP2D6CHRM2CHRM1
SCHEMBL945805 0.91 HTR6 (0.62) HTR6CYP3A4CYP2D6CHRM2CHRM1
SCHEMBL947244 0.90 HTR6 (0.61) HTR6CYP3A4CYP2D6
SCHEMBL947246 0.90 HTR6 (0.61) HTR6CYP3A4CYP2D6
SCHEMBL4779902 0.90 HTR6 (0.61) HTR6CYP3A4CYP2D6
SCHEMBL4776910 0.87 HTR6 (0.63) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL946440 0.87 HTR6 (0.63) HTR6CYP3A4CYP2D6HTR2A

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
EP-1581492-B1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2008-07-16 — — EP claimed