SCHEMBL7388512

SCHEMBL7388512

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(CC1CCCC1)C(=O)[C@@H](CC(=O)NCC(=O)N1CCOCC1)Cc1csc(N)n1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.46
▸ CTSD P07339 1/20 0.43

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
SCHEMBL7387286 1.00 REN (0.46) RENCTSD
SCHEMBL7389857 0.91 REN (0.47) RENCTSD
SCHEMBL7385567 0.88 REN (0.47) RENCTSD
SCHEMBL7291144 0.88 REN (0.47) RENCTSD
SCHEMBL7392745 0.87 REN (0.49) RENCTSD
SCHEMBL7392758 0.87 REN (0.49) RENCTSD
SCHEMBL7393080 0.87 REN (0.49) RENCTSD
SCHEMBL7281584 0.86 REN (0.46) RENCTSD
SCHEMBL7278912 0.86 REN (0.46) RENCTSD
SCHEMBL7281289 0.86 REN (0.46) 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
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