SCHEMBL1432411

SCHEMBL1432411

Nc1ccc(CNC(=O)[C@H](Cc2csc3ccccc23)NC(=O)[C@H]2CCCCN2)cn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.46
▸ GHSR Q92847 1/20 0.44
▸ KLKB1 P03952 3/20 0.42
▸ KLK1 P06870 2/20 0.42
▸ CTSC P53634 1/20 0.42
▸ CTSL P07711 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ F2 P00734 2/20 0.39
▸ MCHR1 Q99705 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ F10 P00742 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
SCHEMBL1432632 0.87 MASP2 (0.47) MASP2GHSRCTSCF2HTR2C
SCHEMBL1432231 0.86 MASP2 (0.47) MASP2GHSRCTSCCTSKF2
SCHEMBL1432735 0.82 MASP2 (0.46) MASP2CTSCCTSKF2HTR2C
SCHEMBL1432848 0.82 KLKB1 (0.47) MASP2KLKB1KLK1CTSLCTSS
SCHEMBL1432888 0.81 CTSL (0.49) MASP2CTSCCTSLCTSSCTSK
SCHEMBL1432761 0.80 MASP2 (0.44) MASP2CTSCCTSKHTR2CHTR2B
SCHEMBL1432216 0.80 MASP2 (0.44) MASP2GHSRCTSCCTSLCTSS
SCHEMBL1906443 0.78 KLKB1 (0.50) MASP2KLKB1KLK1CTSLCTSS
SCHEMBL1431919 0.78 MASP2 (0.45) MASP2CTSCHTR2CHTR2B
SCHEMBL1431930 0.78 MASP2 (0.45) MASP2CTSCCTSLF2HTR2C

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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