SCHEMBL7275366

SCHEMBL7275366

CC(C)CC(NC(=O)[C@@H](CC(C)C)N(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)C(CS)NC(=O)OCc1ccccc1)[C@H](O)c1nccs1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.45
CAPN1 P07384 2/20 0.42
CTSL P07711 3/20 0.41
CTSB P07858 2/20 0.41
HTRA1 Q92743 1/20 0.41
BACE1 P56817 1/20 0.40
CTSK P43235 2/20 0.40

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
SCHEMBL7284863 0.81 REN (0.51) RENCAPN1CTSLCTSBCTSK
SCHEMBL7284859 0.81 REN (0.51) RENCAPN1CTSLCTSBCTSK
SCHEMBL7269371 0.80 REN (0.51) RENCAPN1CTSLCTSB
SCHEMBL7269368 0.80 REN (0.51) RENCAPN1CTSLCTSB
SCHEMBL9725737 0.79 REN (0.50) RENCAPN1CTSLCTSBCTSK
SCHEMBL7275371 0.79 REN (0.50) RENCAPN1CTSLCTSBHTRA1
SCHEMBL9725771 0.77 REN (0.47) RENCAPN1CTSLCTSBCTSK
SCHEMBL9725765 0.74 CTSL (0.47) RENCTSLCTSBCTSK
SCHEMBL7269828 0.74 REN (0.61) RENCTSBCTSK
SCHEMBL7275145 0.72 REN (0.47) RENBACE1

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-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed