SCHEMBL14469363

SCHEMBL14469363

Cc1noc(C)c1Cc1cccc(CN2CCN(C(=O)C3CCN(Cc4ccnc(N)c4)CC3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GPR52 Q9Y2T5 1/20 0.47

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 0.91 MEN1 (0.51) CYP3A4MEN1GAAKMT2ASMN1; SMN2
SCHEMBL14456936 0.84 MEN1 (0.47) CYP3A4MEN1GAAKMT2ASMN1; SMN2
SCHEMBL14456938 0.81 CYP3A4 (0.51) CYP3A4
SCHEMBL14456908 0.80 CYP3A4 (0.54) CYP3A4
SCHEMBL18985960 0.79 TBK1 (0.60) CYP3A4
SCHEMBL14456915 0.79 CYP3A4 (0.57) CYP3A4
SCHEMBL14456933 0.76 CYP3A4 (0.55) CYP3A4SMN1; SMN2
SCHEMBL14456948 0.76 ALDH1A1 (0.52) CYP3A4
SCHEMBL14456951 0.76 L3MBTL1 (0.56) CYP3A4L3MBTL1
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 1 patent. 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
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