SCHEMBL7277900

SCHEMBL7277900

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.47
LTA4H P09960 1/20 0.46
BACE1 P56817 2/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
CTSD P07339 2/20 0.43
OPRK1 P41145 2/20 0.43
MME P08473 1/20 0.43

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
SCHEMBL7277916 1.00 REN (0.47) RENLTA4HBACE1BACE2OPRM1
SCHEMBL7269900 0.84 REN (0.49) RENLTA4HBACE1BACE2OPRM1
SCHEMBL7269905 0.84 REN (0.49) RENLTA4HBACE1BACE2OPRM1
SCHEMBL7268182 0.83 REN (0.47) RENBACE1
SCHEMBL7268186 0.83 REN (0.47) RENBACE1
SCHEMBL7275153 0.82 REN (0.47) RENLTA4HBACE1BACE2OPRM1
SCHEMBL7275145 0.82 REN (0.47) RENLTA4HBACE1BACE2OPRM1
SCHEMBL30051506 0.78 LTA4H (0.72) LTA4HOPRM1OPRD1OPRK1MME
SCHEMBL7076107 0.78 LTA4H (0.61) LTA4HOPRK1MME
SCHEMBL30051692 0.77 LTA4H (0.67) LTA4HMME

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