SCHEMBL7388372

SCHEMBL7388372

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(CC(=O)N(C)C)C(=O)[C@@H](CC(=O)NCc1cccc2ccccc12)CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 4/20 0.41
▸ METAP1 P53582 1/20 0.41
▸ REN P00797 11/20 0.37
▸ ANPEP P15144 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRM1 Q13255 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 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
SCHEMBL7389374 0.87 METAP2 (0.41) METAP2METAP1REN
SCHEMBL7394858 0.85 REN (0.46) REN
SCHEMBL7390565 0.84 GAA (0.42) REN
SCHEMBL7384242 0.84 ALDH1A1 (0.41) RENANPEPMMP1MMP2MMP3
SCHEMBL7394306 0.84 BCHE (0.40) RENMMP1MMP2MMP3
SCHEMBL7387941 0.84 MMP2 (0.49) RENMMP1MMP2MMP3
SCHEMBL7391215 0.84 BCHE (0.40) RENMMP1MMP2MMP3
SCHEMBL7390005 0.82 REN (0.38) RENMMP1MMP2MMP3
SCHEMBL7392096 0.82 MMP3 (0.44) RENMMP1MMP2MMP3
SCHEMBL7389599 0.82 PSEN1 (0.40) RENMMP1MMP2MMP3

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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