SCHEMBL1431938

SCHEMBL1431938

CCC(C)[C@@H](NC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.45
▸ MME P08473 1/20 0.45
▸ CPA1 P15085 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45
▸ MASP2 O00187 3/20 0.41
▸ F2 P00734 2/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ CHRND Q07001 5/20 0.39
▸ CHRNA1 P02708 1/20 0.39
▸ CHRNG P07510 1/20 0.39
▸ CHRNB1 P11230 1/20 0.39
▸ LNPEP Q9UIQ6 1/20 0.39

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
SCHEMBL1431636 0.91 MME (0.43) ACEMMECPA1ACE2MASP2
SCHEMBL1431649 0.91 HTT (0.43) MASP2KLKB1
SCHEMBL1432883 0.90 FURIN (0.40) ACEMMECPA1ACE2MASP2
SCHEMBL1431962 0.88 ACE (0.47) ACEMMECPA1ACE2MASP2
SCHEMBL1432300 0.88 MASP2 (0.40) ACEMMECPA1ACE2MASP2
SCHEMBL1432562 0.87 MME (0.43) ACEMMECPA1ACE2MASP2
SCHEMBL1432022 0.87 MME (0.43) ACEMMECPA1ACE2MASP2
SCHEMBL1434219 0.87 KLKB1 (0.42) MASP2KLKB1
SCHEMBL1431722 0.87 MASP2 (0.40) MASP2KLKB1
SCHEMBL1432034 0.86 CTSB (0.43) MASP2KLKB1

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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