SCHEMBL14456946

SCHEMBL14456946

CN(C)S(=O)(=O)c1cc(CN2CCN(C(=O)C3CCN(Cc4ccnc(N)c4)CC3)CC2)c(Cl)cc1F

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.48

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
SCHEMBL8418299 0.86 CYP3A4 (0.55) CYP3A4
SCHEMBL14456935 0.85 CYP3A4 (0.46) CYP3A4
SCHEMBL14456945 0.85 CYP3A4 (0.49) CYP3A4
SCHEMBL14456905 0.82 CYP3A4 (0.61) CYP3A4
SCHEMBL14456997 0.81 CYP3A4 (0.50) CYP3A4
SCHEMBL14456923 0.81 MEN1 (0.56) CYP3A4
SCHEMBL14456948 0.80 ALDH1A1 (0.52) CYP3A4
SCHEMBL14456937 0.80 KCNH2 (0.51) CYP3A4
SCHEMBL14456932 0.80 MEN1 (0.57) CYP3A4
SCHEMBL14456931 0.80 MEN1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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