SCHEMBL1432290

SCHEMBL1432290

Cc1nc(N)ccc1CNC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H]1CCCCN1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 20/20 0.59
▸ MASP2 O00187 1/20 0.49

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
SCHEMBL1432920 0.98 F2 (0.60) F2MASP2
SCHEMBL1431834 0.87 F2 (0.61) F2MASP2
SCHEMBL1432216 0.85 MASP2 (0.44) F2MASP2
SCHEMBL1432181 0.84 F2 (0.60) F2MASP2
SCHEMBL1432622 0.83 F2 (0.52) F2
SCHEMBL1432624 0.83 F2 (0.52) F2
SCHEMBL1431930 0.83 MASP2 (0.45) F2MASP2
SCHEMBL1432134 0.82 F2 (0.52) F2
SCHEMBL3155827 0.82 F2 (0.55) F2MASP2
SCHEMBL3155821 0.82 F2 (0.55) F2MASP2

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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