SCHEMBL7389083

SCHEMBL7389083

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(CC1CCCCC1)C(=O)[C@@H](CC(=O)NCC(=O)N(C)CCc1ccccn1)CC1CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 14/20 0.51
▸ CTSD P07339 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL7390445 0.91 REN (0.51) RENCTSD
SCHEMBL7391351 0.90 REN (0.50) RENCTSDL3MBTL1ALDH1A1LMNA
SCHEMBL7391896 0.89 REN (0.66) RENCTSD
SCHEMBL7390896 0.89 REN (0.66) RENCTSD
SCHEMBL7391664 0.89 REN (0.66) RENCTSD
SCHEMBL7385470 0.87 REN (0.46) RENCTSDMAPK1SMN1; SMN2HPGD
SCHEMBL7384225 0.84 REN (0.52) RENCTSDMAPK1SMN1; SMN2HPGD
SCHEMBL7392956 0.83 REN (0.62) RENCTSD
SCHEMBL7394858 0.83 REN (0.46) RENCTSDMAPK1SMN1; SMN2HPGD
SCHEMBL7383975 0.82 REN (0.37) 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 1 patent. 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
Send feedback