SCHEMBL1432735

SCHEMBL1432735

Nc1ccc(CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2CCCCN2)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 2/20 0.46
▸ CTSC P53634 4/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CTSK P43235 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ MC4R P32245 4/20 0.41
▸ MC3R P41968 3/20 0.41
▸ MC1R Q01726 3/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ HTR2C P28335 3/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ MC5R P33032 2/20 0.38

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 0.91 MASP2 (0.44) MASP2CTSCCTSKKCNH2MC4R
SCHEMBL1431919 0.88 MASP2 (0.45) MASP2CTSCHTR2CHTR2B
SCHEMBL1432216 0.87 MASP2 (0.44) MASP2CTSCCTSKKCNH2HTR2C
SCHEMBL1432888 0.85 CTSL (0.49) MASP2CTSCCTSKHTR2CHTR2B
SCHEMBL1432231 0.84 MASP2 (0.47) MASP2CTSCCTSKKCNH2HTR2C
SCHEMBL1431930 0.84 MASP2 (0.45) MASP2CTSCHTR2CHTR2BF2
SCHEMBL1432632 0.84 MASP2 (0.47) MASP2CTSCHTR2CHTR2BF2
Hydrochloric Acid SCHEMBL1432057 0.83 MASP2 (0.44) MASP2CTSCHTR2CHTR2BF2
SCHEMBL1432411 0.82 MASP2 (0.46) MASP2CTSCCTSKHTR2CHTR2B
SCHEMBL1433193 0.81 MEN1 (0.47) MASP2MEN1KMT2AMC4RMC3R

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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