SCHEMBL1432216

SCHEMBL1432216

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 2/20 0.44
▸ F2 P00734 2/20 0.42
▸ HTR2C P28335 2/20 0.41
▸ CTSC P53634 3/20 0.40
▸ FNTA P49354 1/20 0.39
▸ PGGT1B P53609 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ CTSK P43235 3/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ CTSL P07711 3/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CTSV O60911 2/20 0.37
▸ CTSS P25774 2/20 0.37
▸ FURIN P09958 1/20 0.37
▸ GHSR Q92847 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
SCHEMBL1431930 0.97 MASP2 (0.45) MASP2F2HTR2CCTSCFNTA
Hydrochloric Acid SCHEMBL1432057 0.97 MASP2 (0.44) MASP2F2HTR2CCTSCFNTA
SCHEMBL1432888 0.90 CTSL (0.49) MASP2F2HTR2CCTSCHTR2B
SCHEMBL1432761 0.88 MASP2 (0.44) MASP2HTR2CCTSCHTR2BCTSK
SCHEMBL1432231 0.87 MASP2 (0.47) MASP2F2HTR2CCTSCHTR2B
SCHEMBL1432735 0.87 MASP2 (0.46) MASP2F2HTR2CCTSCHTR2B
SCHEMBL1431919 0.85 MASP2 (0.45) MASP2HTR2CCTSCHTR2B
SCHEMBL1432290 0.85 F2 (0.59) MASP2F2
SCHEMBL1432661 0.83 MASP2 (0.45) MASP2F2CTSCFNTAPGGT1B
SCHEMBL1432920 0.83 F2 (0.60) MASP2F2

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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