SCHEMBL14456965

SCHEMBL14456965

CN(C)S(=O)(=O)N1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.52

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
SCHEMBL14456984 0.86 CYP3A4 (0.52) CYP3A4
SCHEMBL14456997 0.86 CYP3A4 (0.50) CYP3A4
SCHEMBL14456954 0.86 ALDH1A1 (0.55) CYP3A4
SCHEMBL14456996 0.85 POLB (0.51) CYP3A4
SCHEMBL14456948 0.84 ALDH1A1 (0.52) CYP3A4
SCHEMBL14456975 0.84 CNR1 (0.60) CYP3A4
SCHEMBL14457004 0.84 ALDH1A1 (0.54) CYP3A4
SCHEMBL14469248 0.83 CYP3A4 (0.61) CYP3A4
SCHEMBL8230524 0.83 CYP3A4 (0.61) CYP3A4
SCHEMBL18985960 0.83 TBK1 (0.60) CYP3A4

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
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — WO disclosed
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
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