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Sugi Predict / Compounds / SCHEMBL7392745

SCHEMBL7392745

SCHEMBL7392745

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(CC1CCCCCC1)C(=O)[C@@H](CC(=O)NCC(=O)N(C)C)Cc1csc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.49
▸ CTSD P07339 1/20 0.49
▸ NMT2 O60551 1/20 0.34
▸ NMT1 P30419 1/20 0.34

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
SCHEMBL7392758 1.00 REN (0.49) RENCTSDNMT2NMT1
SCHEMBL7393080 1.00 REN (0.49) RENCTSDNMT2NMT1
SCHEMBL7396615 0.93 REN (0.42) RENCTSD
SCHEMBL7291144 0.92 REN (0.47) RENCTSDNMT2NMT1
SCHEMBL7287674 0.91 REN (0.44) RENCTSDNMT2NMT1
SCHEMBL7291505 0.91 REN (0.44) RENCTSDNMT2NMT1
SCHEMBL7278492 0.91 REN (0.44) RENCTSDNMT2NMT1
SCHEMBL7281289 0.89 REN (0.46) RENCTSDNMT2NMT1
SCHEMBL7281584 0.89 REN (0.46) RENCTSDNMT2NMT1
SCHEMBL7278912 0.89 REN (0.46) RENCTSDNMT2NMT1

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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