SCHEMBL7385303

SCHEMBL7385303

NC(=O)[C@H](Cc1c[nH]cn1)N(C(=O)C(CC(=O)N1CCOCC1)Cc1ccccc1)[C@@H](CC1CCCCC1)[C@@H](O)c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.47
▸ CTSS P25774 2/20 0.42

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
SCHEMBL7322473 0.90 REN (0.37) REN
SCHEMBL7316049 0.89 REN (0.42) RENCTSS
SCHEMBL9641474 0.86 OPRM1 (0.36) REN
SCHEMBL7323158 0.83 REN (0.43) REN
Hydrochloric Acid SCHEMBL7314911 0.83 REN (0.43) REN
SCHEMBL7403552 0.82 REN (0.44) REN
SCHEMBL7326621 0.81 REN (0.42) REN
SCHEMBL7385301 0.81 REN (0.66) REN
Hydrochloric Acid SCHEMBL7323642 0.81 REN (0.42) REN
SCHEMBL7319576 0.80 REN (0.40) REN

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-5055466-A Renin inhibitors E. R. SQUIBB & SONS, INC. (US) 1991-10-08 — — US claimed
US-5055466-A Renin inhibitors E. R. SQUIBB & SONS, INC. (US) 1991-10-08 — — US disclosed
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