SCHEMBL7316845

SCHEMBL7316845

O=C(O)N[C@@H](CC1CCCCC1)C(O)c1nccn1COCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.41
CTSB P07858 5/20 0.41
CTSL P07711 5/20 0.41
CTSK P43235 2/20 0.40
REN P00797 5/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
GPR132 Q9UNW8 1/20 0.36

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
SCHEMBL9641169 1.00 CTSS (0.41) CTSSCTSBCTSLCTSKREN
SCHEMBL9642305 0.84 METAP2 (0.41) CTSSCTSBCTSLCTSKCNR2
SCHEMBL7324654 0.84 METAP2 (0.41) CTSSCTSBCTSLCTSKCNR2
SCHEMBL7382471 0.84 CTSS (0.39) CTSSCTSBCTSLCTSKREN
SCHEMBL7359101 0.84 CTSS (0.39) CTSSCTSBCTSLCTSKCNR2
SCHEMBL7359089 0.84 CTSS (0.39) CTSSCTSBCTSLCTSKCNR2
SCHEMBL7367978 0.80 CTSS (0.37) CTSSCTSBCTSLCTSKREN
SCHEMBL9642437 0.79 REN (0.48) REN
SCHEMBL7323447 0.78 REN (0.39) REN
SCHEMBL7321559 0.78 CTSS (0.36) CTSSCTSBCTSLCTSKREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 EP disclosed
US-4981843-A HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1991-01-01 US disclosed
US-4885292-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1989-12-05 US disclosed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 EP disclosed