SCHEMBL1431919

SCHEMBL1431919

Nc1ccc(CNC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H]2CCCN2)cn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 2/20 0.45
▸ HTR2C P28335 6/20 0.41
▸ GID4 Q8IVV7 1/20 0.41
▸ MME P08473 1/20 0.41
▸ HTR2B P41595 3/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ HDAC1 Q13547 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CTSC P53634 2/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37

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
SCHEMBL1432761 0.97 MASP2 (0.44) MASP2HTR2CGID4MMEHTR2B
SCHEMBL1431930 0.88 MASP2 (0.45) MASP2HTR2CMMEHTR2BHDAC1
SCHEMBL1432735 0.88 MASP2 (0.46) MASP2HTR2CHTR2BCTSC
Hydrochloric Acid SCHEMBL1432057 0.87 MASP2 (0.44) MASP2HTR2CMMEHTR2BHDAC1
SCHEMBL1903932 0.86 MME (0.41) HTR2CGID4MMEHTR2BHTR2A
SCHEMBL1432888 0.86 CTSL (0.49) MASP2HTR2CHTR2BCTSC
SCHEMBL1432216 0.85 MASP2 (0.44) MASP2HTR2CHTR2BCTSC
SCHEMBL1431638 0.82 DPP4 (0.40) MASP2PDPK1
SCHEMBL1432180 0.82 DPP4 (0.40) MASP2PDPK1
SCHEMBL1432738 0.81 MEN1 (0.39) MASP2PDPK1HDAC1

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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