SCHEMBL1432028

SCHEMBL1432028

Nc1ccc(CNC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ F2 P00734 2/20 0.39
▸ CXCR3 P49682 3/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ XIAP P98170 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ F2R P25116 1/20 0.36
▸ PDPK1 O15530 1/20 0.36

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
SCHEMBL1433063 0.94 HDAC1 (0.44) HDAC1HDAC2F2DPP4KCNH2
SCHEMBL1432334 0.93 F2 (0.46) HDAC1HDAC2F2HDAC3XIAP
SCHEMBL1431769 0.90 DPP4 (0.39) F2DPP4KCNH2XIAPMEN1
SCHEMBL1432630 0.90 DPP4 (0.39) F2DPP4KCNH2XIAPMEN1
SCHEMBL3150073 0.90 MASP2 (0.40) F2DPP4KCNH2XIAPMEN1
SCHEMBL1432209 0.90 F2 (0.42) F2DPP4KCNH2XIAPMEN1
SCHEMBL1432780 0.90 F2 (0.42) F2DPP4KCNH2XIAPMEN1
SCHEMBL1432074 0.89 DPP4 (0.38) F2DPP4KCNH2XIAPMEN1
SCHEMBL1432174 0.89 DPP4 (0.38) F2DPP4KCNH2XIAPMEN1
SCHEMBL3154107 0.88 PPIB (0.40) F2DPP4KCNH2XIAPMEN1

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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
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