SCHEMBL1432761

SCHEMBL1432761

Nc1ccc(CNC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H]2CCCCN2)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 2/20 0.44
▸ CTSC P53634 3/20 0.40
▸ PDPK1 O15530 1/20 0.39
▸ HTR2C P28335 5/20 0.39
▸ MME P08473 1/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ GID4 Q8IVV7 1/20 0.39
▸ CTSK P43235 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ MC4R P32245 1/20 0.37
▸ MC3R P41968 1/20 0.37
▸ MC1R Q01726 1/20 0.37
▸ FURIN P09958 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
SCHEMBL1431919 0.97 MASP2 (0.45) MASP2CTSCPDPK1HTR2CMME
SCHEMBL1432735 0.91 MASP2 (0.46) MASP2CTSCHTR2CHTR2BCTSK
SCHEMBL1432888 0.88 CTSL (0.49) MASP2CTSCHTR2CHTR2BCTSK
SCHEMBL1432216 0.88 MASP2 (0.44) MASP2CTSCHTR2CHTR2BCTSK
SCHEMBL1431930 0.85 MASP2 (0.45) MASP2CTSCHTR2CMMEHTR2B
Hydrochloric Acid SCHEMBL1432057 0.85 MASP2 (0.44) MASP2CTSCHTR2CMMEHTR2B
SCHEMBL1903932 0.84 MME (0.41) CTSCHTR2CMMEHTR2BGID4
SCHEMBL1432231 0.82 MASP2 (0.47) MASP2CTSCHTR2CHTR2BCTSK
SCHEMBL1432579 0.82 MEN1 (0.39) MASP2PDPK1KCNH2
SCHEMBL1432738 0.82 MEN1 (0.39) MASP2PDPK1KCNH2

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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