SCHEMBL7269885

SCHEMBL7269885

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.45
▸ OPRK1 P41145 2/20 0.40
▸ HSPA5 P11021 1/20 0.40
▸ HSPA2 P54652 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PSMB11 A5LHX3 1/20 0.39
▸ PSMA7 O14818 1/20 0.39
▸ PSMB1 P20618 1/20 0.39
▸ PSMA1 P25786 1/20 0.39
▸ PSMA2 P25787 1/20 0.39
▸ PSMA3 P25788 1/20 0.39
▸ PSMA4 P25789 1/20 0.39
▸ PSMB8 P28062 1/20 0.39
▸ PSMB9 P28065 1/20 0.39
▸ PSMA5 P28066 1/20 0.39

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
SCHEMBL7274796 0.98 REN (0.46) RENOPRK1HSPA5HSPA2LTA4H
SCHEMBL7269901 0.80 REN (0.56) RENCCKBR
SCHEMBL9813890 0.75 POLB (0.57) RENLTA4HPOLBMAPTATM
SCHEMBL7274802 0.75 MMP2 (0.36) RENHSPA5HSPA2LTA4HPOLB
SCHEMBL7275145 0.74 REN (0.47) RENOPRK1HSPA5HSPA2LTA4H
SCHEMBL7275153 0.74 REN (0.47) RENOPRK1HSPA5HSPA2LTA4H
SCHEMBL30051506 0.72 LTA4H (0.72) OPRK1LTA4H
SCHEMBL7076107 0.72 LTA4H (0.61) OPRK1LTA4H
SCHEMBL7269897 0.71 POLB (0.37) RENPOLBMAPTATMNPSR1
SCHEMBL30051692 0.71 LTA4H (0.67) LTA4HMMP2MMP7

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
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