SCHEMBL7288244

SCHEMBL7288244

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(CC1(O)CCCCC1)C(=O)[C@@H](CC(=O)NCCO)CC1CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.35
▸ LTA4H P09960 1/20 0.34
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33

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
SCHEMBL7281421 0.89 REN (0.38) RENLTA4HMMP1MMP2MMP3
SCHEMBL7278622 0.88 REN (0.38) RENLTA4HMMP1MMP2MMP3
SCHEMBL7280966 0.88 REN (0.35) RENLTA4HMMP1MMP2MMP3
SCHEMBL7287034 0.86 REN (0.37) RENLTA4H
SCHEMBL7288053 0.85 REN (0.48) REN
SCHEMBL7279985 0.84 REN (0.36) RENLTA4HMMP1MMP2MMP3
SCHEMBL7278479 0.84 REN (0.36) RENLTA4HMMP1MMP2MMP3
SCHEMBL7281027 0.84 REN (0.51) RENMMP1MMP2MMP3
SCHEMBL7278750 0.84 CYP2C19 (0.36) RENMMP1MMP2MMP3
SCHEMBL7281639 0.83 REN (0.45) REN

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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