SCHEMBL7280335

SCHEMBL7280335

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

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.61
CTSD P07339 1/20 0.58

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
SCHEMBL7287494 0.93 REN (0.62) RENCTSD
SCHEMBL7280012 0.93 REN (0.62) RENCTSD
SCHEMBL7393260 0.93 REN (0.63) RENCTSD
SCHEMBL7286744 0.89 REN (0.60) RENCTSD
SCHEMBL7277111 0.89 REN (0.60) RENCTSD
SCHEMBL7289854 0.89 REN (0.60) RENCTSD
SCHEMBL7279564 0.85 REN (0.73) REN
SCHEMBL9393286 0.84 REN (0.69) REN
SCHEMBL7281596 0.84 REN (0.60) RENCTSD
SCHEMBL7286690 0.84 REN (0.60) RENCTSD

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-0589446-A1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP claimed