Sugi Predict

Sugi Predict / Compounds / SCHEMBL7387775

SCHEMBL7387775

SCHEMBL7387775

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)N(CC(=O)N1CCOCC1)CC1CCCCC1)CC1CC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.56
▸ CTSD P07339 1/20 0.46

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
SCHEMBL7391878 0.88 REN (0.66) REN
SCHEMBL7395396 0.86 REN (0.55) RENCTSD
SCHEMBL7389829 0.86 REN (0.63) RENCTSD
SCHEMBL7389875 0.85 REN (0.64) REN
SCHEMBL7383710 0.85 REN (0.67) RENCTSD
SCHEMBL7388515 0.85 REN (0.67) RENCTSD
SCHEMBL7391608 0.83 REN (0.62) REN
SCHEMBL7280325 0.82 REN (0.51) RENCTSD
SCHEMBL7389791 0.82 REN (0.50) RENCTSD
SCHEMBL7389792 0.82 REN (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589445-A1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 — — EP claimed
EP-0589445-A1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 — — EP disclosed