SCHEMBL7278275

SCHEMBL7278275

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(Cc1ccco1)C(=O)[C@@H](CC(=O)NCC(C)(C)O)Cc1csc(N)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.42
▸ CTSD P07339 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL7281584 0.88 REN (0.46) RENCTSD
SCHEMBL7278912 0.88 REN (0.46) RENCTSD
SCHEMBL7281289 0.88 REN (0.46) RENCTSD
SCHEMBL7282290 0.88 REN (0.44) RENCTSD
SCHEMBL7287322 0.86 REN (0.42) RENCTSD
SCHEMBL7395959 0.84 REN (0.58) RENCTSD
SCHEMBL7291144 0.78 REN (0.47) RENCTSD
SCHEMBL7392758 0.78 REN (0.49) RENCTSD
SCHEMBL7392745 0.78 REN (0.49) RENCTSD
SCHEMBL7393080 0.78 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-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 — — EP claimed
WO-1994007845-A1 N-(HYDROXYETHYL)BUTANEDIAMIDE DERIVATIVES AS RENIN INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 — — WO claimed
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