SCHEMBL1905788

SCHEMBL1905788

Nc1ccc(CNC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)C(O)Cc2cccc3ccccc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 4/20 0.42
▸ PSMB5 P28074 2/20 0.41
▸ PSMB8 P28062 1/20 0.41
▸ LCK P06239 2/20 0.40
▸ PDPK1 O15530 1/20 0.39
▸ PSMB1 P20618 1/20 0.39
▸ PSMB2 P49721 1/20 0.39
▸ MCHR1 Q99705 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ MASP2 O00187 1/20 0.38
▸ OPRD1 P41143 1/20 0.37
▸ FCER2 P06734 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ MAPT P10636 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
SCHEMBL1901449 1.00 KLKB1 (0.42) KLKB1PSMB5PSMB8LCKPDPK1
SCHEMBL1901817 0.88 KLKB1 (0.49) KLKB1PSMB5PDPK1PSMB1PSMB2
SCHEMBL1901814 0.88 KLKB1 (0.49) KLKB1PSMB5PDPK1PSMB1PSMB2
SCHEMBL1904352 0.85 KLKB1 (0.46) KLKB1PSMB5PSMB8PDPK1PSMB1
SCHEMBL1904349 0.85 KLKB1 (0.46) KLKB1PSMB5PSMB8PDPK1PSMB1
SCHEMBL1905072 0.85 NAMPT (0.46) KLKB1PSMB5PDPK1PSMB1PSMB2
SCHEMBL1903988 0.85 NAMPT (0.46) KLKB1PSMB5PDPK1PSMB1PSMB2
SCHEMBL1906121 0.85 KLKB1 (0.43) KLKB1PSMB5PDPK1PSMB1PSMB2
Trifluoroacetic Acid SCHEMBL1908460 0.84 KLKB1 (0.47) KLKB1PSMB5PDPK1PSMB1PSMB2
SCHEMBL1901348 0.84 KLKB1 (0.42) KLKB1PSMB5PDPK1PSMB1PSMB2

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
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 — — WO claimed
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