SCHEMBL1432193

SCHEMBL1432193

CCC(C)[C@@H](N)C(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.45
▸ PSMB5 P28074 4/20 0.44
▸ F2 P00734 1/20 0.44
▸ PSMB1 P20618 3/20 0.43
▸ CTSL P07711 3/20 0.41
▸ MASP2 O00187 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ MME P08473 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ PPARA Q07869 1/20 0.40
▸ KIFC1 Q9BW19 1/20 0.40
▸ FURIN P09958 1/20 0.40

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
SCHEMBL1431886 0.90 PSMB5 (0.49) MAPK14PSMB5F2PSMB1CTSL
SCHEMBL1432540 0.89 MASP2 (0.43) MASP2PLGKLKB1
SCHEMBL1432156 0.88 MASP2 (0.45) CTSLMASP2PLGKLKB1
SCHEMBL1432206 0.86 MASP2 (0.51) MASP2MMEACECPA1ACE2
SCHEMBL3145343 0.86 MAPK14 (0.45) MAPK14PSMB5F2CTSLMASP2
SCHEMBL1432380 0.86 MAPK14 (0.45) MAPK14PSMB5F2CTSLMASP2
SCHEMBL3147894 0.86 MAPK14 (0.44) MAPK14PSMB5F2CTSLMASP2
SCHEMBL1432194 0.86 MAPK14 (0.44) MAPK14PSMB5F2CTSLMASP2
SCHEMBL1431687 0.85 MME (0.44) PSMB5PSMB1MASP2PLGMME
SCHEMBL1431642 0.85 MME (0.44) PSMB5PSMB1MASP2PLGMME

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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