SCHEMBL8905014

SCHEMBL8905014

C=C(C[C@H](O)[C@H](C[C@H](Cc1ccc(C(C)(C)C)cc1)C(C)C)NC(=O)OC(C)(C)C)C(=O)NCCCC

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.54
KLK5 Q9Y337 1/20 0.41

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
SCHEMBL8905011 1.00 REN (0.54) RENKLK5
SCHEMBL6044813 0.87 KLK5 (0.47) RENKLK5
SCHEMBL8906152 0.86 REN (0.70) REN
SCHEMBL6043848 0.82 REN (0.49) RENKLK5
SCHEMBL6042377 0.82 REN (0.49) RENKLK5
SCHEMBL6043348 0.82 REN (0.49) RENKLK5
SCHEMBL6042374 0.82 REN (0.49) RENKLK5
SCHEMBL9029740 0.82 REN (0.49) RENKLK5
SCHEMBL6042522 0.82 REN (0.49) RENKLK5
SCHEMBL8906235 0.81 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-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 US disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed