SCHEMBL7417064

SCHEMBL7417064

CCOP(=O)(CC(Cc1ccccc1)C(=O)NC(=O)[C@H](Cc1cncn1COCc1ccccc1)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccn1COCc1ccccc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.42
CTSS P25774 2/20 0.34
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32

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
SCHEMBL7417069 0.91 REN (0.50) REN
SCHEMBL7321559 0.88 CTSS (0.36) RENCTSSCTSLCTSB
SCHEMBL9642432 0.84 REN (0.39) RENCTSS
SCHEMBL7367978 0.83 CTSS (0.37) RENCTSSCTSLCTSB
SCHEMBL7382471 0.79 CTSS (0.39) RENCTSSCTSLCTSB
SCHEMBL9642437 0.77 REN (0.48) REN
SCHEMBL9575024 0.77 REN (0.39) RENCTSS
SCHEMBL9641500 0.74 CTSS (0.31) CTSS
SCHEMBL9575107 0.74 REN (0.38) RENCTSSCTSLCTSB
SCHEMBL9574993 0.73 REN (0.39) 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 1 patent. 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 disclosed