SCHEMBL9438136

SCHEMBL9438136

CC(C)(C)OC(=O)NC1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CCSc2ncc[nH]2)CC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.61
▸ PGC P20142 1/20 0.45

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
SCHEMBL9437961 0.93 REN (0.64) REN
SCHEMBL9438193 0.92 REN (0.62) RENPGC
SCHEMBL9438133 0.91 REN (0.57) RENPGC
SCHEMBL9438007 0.91 REN (0.58) RENPGC
SCHEMBL9438037 0.91 REN (0.60) REN
SCHEMBL7381075 0.90 REN (0.58) RENPGC
SCHEMBL9438090 0.90 REN (0.59) RENPGC
SCHEMBL9438116 0.90 REN (0.57) REN
SCHEMBL9438070 0.90 REN (0.59) REN
SCHEMBL9438033 0.90 REN (0.59) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328916-A Renin inhibitors, hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-12 — — US disclosed
EP-0456039-A2 Renin inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1991-11-13 — — EP disclosed
Send feedback