SCHEMBL7279482

SCHEMBL7279482

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(CC1CCCCC1)C(=O)[C@@H](CC(=O)NCC(=O)C(C)C)Cc1cscn1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.47

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
SCHEMBL7279445 0.93 REN (0.47) REN
SCHEMBL7287720 0.93 REN (0.47) REN
SCHEMBL7390237 0.92 REN (0.46) REN
SCHEMBL7392333 0.92 REN (0.46) REN
SCHEMBL7278875 0.89 REN (0.46) REN
SCHEMBL7281469 0.89 REN (0.46) REN
SCHEMBL7288756 0.89 REN (0.46) REN
SCHEMBL7291144 0.87 REN (0.47) REN
SCHEMBL7278677 0.84 REN (0.45) REN
SCHEMBL7278564 0.83 REN (0.44) 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
EP-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 — — EP claimed
WO-1994007845-A1 N-(HYDROXYETHYL)BUTANEDIAMIDE DERIVATIVES AS RENIN INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 — — WO claimed
Send feedback