SCHEMBL7287149

SCHEMBL7287149

CC(C)SC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.47
CTSL P07711 6/20 0.44
CTSB P07858 4/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL7287141 1.00 REN (0.47) RENCTSLCTSBCTSSCTSK
SCHEMBL9725854 0.87 REN (0.47) RENCTSLCTSBCTSSCTSK
SCHEMBL7293224 0.86 REN (0.46) RENCTSLCTSBCTSSCTSK
SCHEMBL9725744 0.86 REN (0.47) RENCTSLCTSBCTSSCTSK
SCHEMBL7300500 0.86 REN (0.61) RENCTSLCTSBCTSSCTSK
SCHEMBL7300506 0.86 REN (0.61) RENCTSLCTSBCTSSCTSK
SCHEMBL7316942 0.84 REN (0.50) RENCTSLCTSB
SCHEMBL9725827 0.84 REN (0.45) RENCTSLCTSBCTSSCTSK
SCHEMBL7305274 0.81 REN (0.46) RENCTSLCTSBCTSSCTSK
SCHEMBL7305280 0.81 REN (0.46) RENCTSLCTSBCTSSCTSK

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
EP-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed