Sugi Predict

Sugi Predict / Compounds / SCHEMBL7287448

SCHEMBL7287448

SCHEMBL7287448

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)N(CC(=O)N(C)C)CC1(O)CCCCC1)Cc1c[nH]cn1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.51
▸ CTSD P07339 1/20 0.51

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
SCHEMBL7279557 0.91 REN (0.52) RENCTSD
SCHEMBL7286690 0.89 REN (0.60) RENCTSD
SCHEMBL7281628 0.88 REN (0.53) RENCTSD
SCHEMBL7278513 0.86 REN (0.47) RENCTSD
SCHEMBL7280718 0.86 REN (0.66) RENCTSD
SCHEMBL7287213 0.86 REN (0.66) RENCTSD
SCHEMBL7286450 0.86 REN (0.66) RENCTSD
SCHEMBL7280747 0.84 REN (0.50) RENCTSD
SCHEMBL7391290 0.82 REN (0.52) RENCTSD
SCHEMBL7289826 0.81 REN (0.53) 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