SCHEMBL7395091

SCHEMBL7395091

Cc1cc(C)cc(CNC(=O)C[C@@H](Cc2csc(N)n2)C(=O)N(CC(=O)N(C)C)[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.45
▸ CTSD P07339 1/20 0.45
▸ NMT2 O60551 1/20 0.34
▸ NMT1 P30419 1/20 0.34

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
SCHEMBL7389362 0.89 REN (0.57) RENCTSD
SCHEMBL7280475 0.88 REN (0.46) RENCTSDNMT2NMT1
SCHEMBL7383323 0.87 REN (0.49) RENCTSD
SCHEMBL7388466 0.86 REN (0.49) RENCTSD
SCHEMBL7277983 0.86 REN (0.44) RENCTSDNMT2NMT1
SCHEMBL7393080 0.85 REN (0.49) RENCTSDNMT2NMT1
SCHEMBL7392758 0.85 REN (0.49) RENCTSDNMT2NMT1
SCHEMBL7392745 0.85 REN (0.49) RENCTSDNMT2NMT1
SCHEMBL7389545 0.85 REN (0.51) RENCTSD
SCHEMBL7392528 0.83 REN (0.67) RENCTSD

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
EP-0589445-B1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1997-01-15 — — EP claimed
WO-1994007846-A1 RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 — — WO claimed
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