SCHEMBL14456932

SCHEMBL14456932

Nc1cc(CN2CCC(C(=O)N3CCN(Cc4cc(Cl)ccc4Cl)CC3)CC2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP3A4 P08684 3/20 0.51
▸ TBK1 Q9UHD2 1/20 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
SCHEMBL14456931 0.92 MEN1 (0.55) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14456923 0.91 MEN1 (0.56) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14456910 0.90 CYP3A4 (0.54) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14456908 0.86 CYP3A4 (0.54) CYP3A4TBK1
SCHEMBL14456905 0.85 CYP3A4 (0.61) CYP3A4
SCHEMBL18985960 0.84 TBK1 (0.60) CYP3A4TBK1
SCHEMBL14456939 0.84 MEN1 (0.49) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14456941 0.84 MEN1 (0.49) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL13003343 0.84 CYP3A4 (0.53) CYP3A4TBK1
SCHEMBL14456964 0.83 CNR1 (0.60) TSHRKMT2AALDH1A1CYP3A4

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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