SCHEMBL17690480

SCHEMBL17690480

Cn1c(C=O)cc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ P2RY14 Q15391 1/20 0.42
▸ GPR119 Q8TDV5 6/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ IGF1R P08069 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ RET P07949 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ CNR1 P21554 1/20 0.40

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
SCHEMBL17092727 0.84 NAMPT (0.47) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL23411339 0.81 KDM4E (0.52) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL29891481 0.80 NAMPT (0.49) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL23411311 0.80 NAMPT (0.49) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL17109202 0.80 TP53 (0.46) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL23211951 0.78 GPR119 (0.51) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL30149799 0.78 GPR119 (0.51) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL14635623 0.77 NAMPT (0.58) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL16965440 0.77 NAMPT (0.58) NAMPTKDM4EMAPTTHRBPDE4B
SCHEMBL2636994 0.77 HSD11B1 (0.68) NAMPTKDM4EMAPTTHRBPDE4B

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
EP-3009424-B1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2017-12-20 — — EP disclosed
EP-3009424-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 — — EP disclosed
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