SCHEMBL1432034

SCHEMBL1432034

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 10/20 0.43
▸ KLKB1 P03952 5/20 0.42
▸ KLK1 P06870 3/20 0.42
▸ CTSL P07711 11/20 0.42
▸ CTSV O60911 10/20 0.42
▸ CTSS P25774 10/20 0.42
▸ CTSK P43235 8/20 0.42
▸ HTRA1 Q92743 1/20 0.41
▸ MASP2 O00187 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
SCHEMBL3141395 0.92 CTSB (0.45) CTSBKLKB1KLK1CTSLCTSV
SCHEMBL1432124 0.92 CTSB (0.45) CTSBKLKB1KLK1CTSLCTSV
SCHEMBL1431649 0.90 HTT (0.43) KLKB1KLK1MASP2
SCHEMBL1434219 0.90 KLKB1 (0.42) CTSBKLKB1KLK1HTRA1MASP2
SCHEMBL1432562 0.88 MME (0.43) KLKB1HTRA1MASP2
SCHEMBL1432022 0.88 MME (0.43) KLKB1HTRA1MASP2
SCHEMBL1431886 0.87 PSMB5 (0.49) KLKB1CTSLMASP2
SCHEMBL1432492 0.87 KLKB1 (0.43) CTSBKLKB1KLK1CTSLCTSV
SCHEMBL3154156 0.86 KLKB1 (0.50) CTSBKLKB1KLK1CTSLCTSV
SCHEMBL1431801 0.86 KLKB1 (0.50) CTSBKLKB1KLK1CTSLCTSV

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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