SCHEMBL7383323

SCHEMBL7383323

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(CC(=O)N(C)C)C(=O)[C@@H](CC(=O)NCCc1ccccc1)Cc1csc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.49
▸ CTSD P07339 1/20 0.49
▸ MMP3 P08254 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 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
SCHEMBL7388466 0.90 REN (0.49) RENCTSD
SCHEMBL7389362 0.89 REN (0.57) RENCTSD
SCHEMBL7389545 0.89 REN (0.51) RENCTSD
SCHEMBL7395091 0.87 REN (0.45) RENCTSD
SCHEMBL7387941 0.86 MMP2 (0.49) RENMMP3MMP1MMP2
SCHEMBL7280475 0.86 REN (0.46) RENCTSD
SCHEMBL7277983 0.85 REN (0.44) RENCTSD
SCHEMBL7392745 0.84 REN (0.49) RENCTSD
SCHEMBL7392758 0.84 REN (0.49) RENCTSD
SCHEMBL7393080 0.84 REN (0.49) 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-B1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1997-01-15 — — EP claimed
WO-1994007846-A1 RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 — — WO claimed
Send feedback