SCHEMBL7388089

SCHEMBL7388089

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)N(CC(=O)N(C)CCN1CCOCC1)[C@@H](C)c1ccccc1)Cc1csc(N)n1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.63
▸ CTSD P07339 1/20 0.63

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
SCHEMBL7386714 0.94 REN (0.64) RENCTSD
SCHEMBL7394869 0.93 REN (0.63) RENCTSD
SCHEMBL7396325 0.89 REN (0.73) RENCTSD
SCHEMBL7391114 0.88 REN (0.65) RENCTSD
SCHEMBL7392288 0.87 REN (0.82) RENCTSD
SCHEMBL7390992 0.86 REN (0.77) RENCTSD
SCHEMBL7391405 0.86 REN (0.72) RENCTSD
SCHEMBL7396084 0.86 REN (0.67) RENCTSD
SCHEMBL7390864 0.84 REN (0.50) RENCTSD
SCHEMBL7396421 0.80 REN (0.54) 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-0589445-A1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 — — EP claimed
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