SCHEMBL11749300

SCHEMBL11749300

N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]([C]=O)CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 5/20 0.48
▸ GHSR Q92847 2/20 0.45
▸ MMP2 P08253 8/20 0.45
▸ MMP1 P03956 6/20 0.45
▸ MMP9 P14780 7/20 0.45
▸ MMP8 P22894 7/20 0.45
▸ MMP3 P08254 3/20 0.45
▸ IL1RN P18510 2/20 0.44
▸ ERAP2 Q6P179 1/20 0.44
▸ ACE P12821 1/20 0.43
▸ ADAM10 O14672 1/20 0.43
▸ ADAM12 O43184 1/20 0.43
▸ ADAMTS4 O75173 1/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ MMP15 P51511 1/20 0.43
▸ MMP16 P51512 1/20 0.43
▸ ADAM17 P78536 1/20 0.43

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
SCHEMBL29425247 0.89 ACE (0.52) GHSRERAP2ACE
SCHEMBL11642380 0.87 CTSC (0.55) CTSCMMP2MMP1MMP9MMP8
SCHEMBL30254445 0.87 ACE (0.53) ERAP2ACE
SCHEMBL31259938 0.87 ACE (0.57) ACE
SCHEMBL29973876 0.87 ACE (0.57) ACE
SCHEMBL30628987 0.87 ACE (0.57) ACE
SCHEMBL31259940 0.87 ACE (0.57) ACE
SCHEMBL30628999 0.87 ACE (0.57) ACE
SCHEMBL29577528 0.87 ACE (0.57) ACE
SCHEMBL11497997 0.85 ACE (0.60) ACE

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
US-4010149-A PEPTIDE SANKYO COMPANY LIMITED (JA) 1977-03-01 — — US disclosed
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