SCHEMBL14456931

SCHEMBL14456931

Nc1cc(CN2CCC(C(=O)N3CCN(Cc4ccc(Cl)cc4Cl)CC3)CC2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ EPHX2 P34913 1/20 0.54
▸ CYP3A4 P08684 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50

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
SCHEMBL14456932 0.92 MEN1 (0.57) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14456905 0.91 CYP3A4 (0.61) CYP3A4
SCHEMBL14456910 0.90 CYP3A4 (0.54) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14456923 0.90 MEN1 (0.56) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14456908 0.86 CYP3A4 (0.54) CYP3A4
SCHEMBL14456939 0.86 MEN1 (0.49) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14456941 0.86 MEN1 (0.49) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14456942 0.84 MEN1 (0.47) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL18985960 0.84 TBK1 (0.60) CYP3A4
SCHEMBL14456943 0.84 MEN1 (0.47) MEN1ALOX15TSHRMAPK1KMT2A

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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