SCHEMBL1432888

SCHEMBL1432888

Nc1ccc(CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)[C@H]2CCCCN2)cn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.49
▸ CTSV O60911 6/20 0.49
▸ CTSS P25774 6/20 0.49
▸ CTSK P43235 4/20 0.49
▸ MASP2 O00187 2/20 0.45
▸ F2 P00734 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ CTSC P53634 1/20 0.41
▸ HTR2B P41595 1/20 0.39
▸ CTSB P07858 3/20 0.39
▸ ADAM17 P78536 1/20 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
SCHEMBL1432216 0.90 MASP2 (0.44) CTSLCTSVCTSSCTSKMASP2
SCHEMBL1432761 0.88 MASP2 (0.44) CTSKMASP2HTR2CCTSCHTR2B
SCHEMBL1431930 0.87 MASP2 (0.45) CTSLMASP2F2HTR2CCTSC
Hydrochloric Acid SCHEMBL1432057 0.87 MASP2 (0.44) CTSLMASP2F2HTR2CCTSC
SCHEMBL1432231 0.86 MASP2 (0.47) CTSKMASP2F2HTR2CCTSC
SCHEMBL1431919 0.86 MASP2 (0.45) MASP2HTR2CCTSCHTR2B
SCHEMBL1432735 0.85 MASP2 (0.46) CTSKMASP2F2HTR2CCTSC
SCHEMBL1432632 0.84 MASP2 (0.47) MASP2F2HTR2CCTSCHTR2B
SCHEMBL1432409 0.81 CTSL (0.48) CTSLCTSVCTSSCTSKF2
SCHEMBL1432411 0.81 MASP2 (0.46) CTSLCTSSCTSKMASP2F2

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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