SCHEMBL7389374

SCHEMBL7389374

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(CC(=O)N(C)C)C(=O)[C@@H](CC(=O)N[C@@H](C)c1cccc2ccccc12)CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 3/20 0.41
▸ METAP1 P53582 3/20 0.41
▸ REN P00797 11/20 0.36
▸ ACP3 P15309 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ CTSD P07339 1/20 0.35
▸ CCR1 P32246 4/20 0.35

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
SCHEMBL7389599 0.88 PSEN1 (0.40) REN
SCHEMBL7394314 0.88 PSEN1 (0.40) REN
SCHEMBL7388372 0.87 METAP2 (0.41) METAP2METAP1REN
SCHEMBL7389062 0.81 PSEN1 (0.42) REN
SCHEMBL7387941 0.81 MMP2 (0.49) REN
SCHEMBL7394306 0.81 BCHE (0.40) REN
SCHEMBL7391215 0.81 BCHE (0.40) REN
SCHEMBL7383641 0.80 REN (0.47) RENCTSD
SCHEMBL7394858 0.79 REN (0.46) RENCTSD
SCHEMBL7392096 0.79 MMP3 (0.44) 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-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
Send feedback