SCHEMBL10982903

SCHEMBL10982903

CCC(C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPEP Q07075 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CA2 P00918 4/20 0.39
▸ CA1 P00915 3/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ MME P08473 1/20 0.38
▸ ECE1 P42892 1/20 0.38
▸ FPR2 P25090 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CTSD P07339 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL10982907 1.00 ENPEP (0.40) ENPEPALDH1A1CA2CA1AKR1B1
SCHEMBL14940740 1.00 ENPEP (0.40) ENPEPALDH1A1CA2CA1AKR1B1
SCHEMBL31643061 0.96 CTSD (0.42) ENPEPALDH1A1CA2CA1AKR1B1
SCHEMBL30799828 0.91 ENPEP (0.40) ENPEPAKR1B1CTSDL3MBTL1
SCHEMBL8437180 0.89 MME (0.37) ALDH1A1CA2CA1AKR1B1MME
SCHEMBL8437182 0.89 MME (0.37) ALDH1A1CA2CA1AKR1B1MME
SCHEMBL8527615 0.88 MME (0.43) CA2CA1MMEECE1
SCHEMBL29961849 0.88 MME (0.43) CA2CA1MMEECE1
SCHEMBL8527609 0.88 MME (0.43) CA2CA1MMEECE1
Water SCHEMBL29655489 0.88 MME (0.36) ALDH1A1AKR1B1MMEECE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4548926-A RENIN INHIBITOR SANKYO COMPANY LIMITED (JP) 1985-10-22 — — US disclosed
EP-0128762-A2 New hypotensive peptides, their preparation and their use SANKYO COMPANY LIMITED (JP) 1984-12-19 — — EP disclosed
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