SCHEMBL14456923

SCHEMBL14456923

Nc1cc(CN2CCC(C(=O)N3CCN(Cc4cc(Cl)ccc4F)CC3)CC2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CYP3A4 P08684 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MTNR1B P49286 1/20 0.51

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 0.91 MEN1 (0.57) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14456927 0.90 CYP3A4 (0.54) CYP3A4MTNR1B
SCHEMBL14456931 0.90 MEN1 (0.55) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14456902 0.87 CYP3A4 (0.63) CYP3A4ALDH1A1
SCHEMBL14456905 0.86 CYP3A4 (0.61) CYP3A4
SCHEMBL14456910 0.85 CYP3A4 (0.54) MEN1ALOX15TSHRMAPK1KMT2A
SCHEMBL14456933 0.85 CYP3A4 (0.55) TSHRSMN1; SMN2CYP3A4KDM4E
SCHEMBL14456898 0.85 CYP3A4 (0.56) CYP3A4
SCHEMBL14456916 0.84 CYP3A4 (0.60) CYP3A4
SCHEMBL18985960 0.84 TBK1 (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
Send feedback