SCHEMBL1903992

SCHEMBL1903992

Nc1ccc(CNC(=O)[C@@H](CNC(=O)[C@H](O)Cc2ccc(F)cc2)c2ccc(F)c(F)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.42
▸ PDPK1 O15530 3/20 0.37
▸ EHMT2 Q96KQ7 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ MASP2 O00187 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TLR2 O60603 1/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ CPB1 P15086 1/20 0.33
▸ MET P08581 1/20 0.33

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
SCHEMBL1902876 0.94 BACE1 (0.40) NAMPTPDPK1MASP2HDAC1
SCHEMBL1901316 0.90 CA2 (0.40) PDPK1
SCHEMBL1905074 0.90 NAMPT (0.43) NAMPTEHMT2MASP2MEN1KMT2A
SCHEMBL1907648 0.89 BACE1 (0.44) NAMPTMASP2CPB1
SCHEMBL1907783 0.89 PDPK1 (0.38) NAMPTPDPK1MASP2MEN1KMT2A
SCHEMBL1903417 0.86 EPHX2 (0.43) PDPK1PTPN1
SCHEMBL1901450 0.85 MAPT (0.36) PDPK1MASP2KMT2AHDAC1
SCHEMBL1902464 0.85 MASP2 (0.39) NAMPTPDPK1MASP2TLR2
SCHEMBL1899812 0.85 MASP2 (0.39) NAMPTPDPK1MASP2TLR2
SCHEMBL1431762 0.84 MASP2 (0.43) NAMPTMASP2

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
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 — — WO claimed
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