SCHEMBL14456936

SCHEMBL14456936

Cc1onc(-c2c(Cl)cccc2Cl)c1CN1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL14456929 0.86 MEN1 (0.51) MEN1KMT2ACYP3A4SMN1; SMN2GAA
SCHEMBL14456908 0.86 CYP3A4 (0.54) CYP3A4
SCHEMBL14469363 0.84 CYP3A4 (0.48) MEN1KMT2ACYP3A4SMN1; SMN2GAA
SCHEMBL14456933 0.82 CYP3A4 (0.55) CYP3A4SMN1; SMN2
SCHEMBL14456938 0.79 CYP3A4 (0.51) CYP3A4
SCHEMBL14456910 0.79 CYP3A4 (0.54) MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL14456915 0.79 CYP3A4 (0.57) CYP3A4
SCHEMBL14456935 0.79 CYP3A4 (0.46) CYP3A4ALDH1A1
SCHEMBL18985960 0.77 TBK1 (0.60) CYP3A4
SCHEMBL14456916 0.76 CYP3A4 (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 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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