SCHEMBL7326619

SCHEMBL7326619

N[C@@H](Cc1c[nH]cn1)C(=O)N(C(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1)[C@@H](CC1CCCCC1)[C@@H](O)c1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.42
PSMB5 P28074 3/20 0.38
KMT2A Q03164 1/20 0.35
CDYL2 Q8N8U2 1/20 0.34
CDYL Q9Y232 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
SCHEMBL7323151 0.90 REN (0.42) REN
SCHEMBL7316295 0.90 REN (0.47) REN
SCHEMBL7316224 0.90 REN (0.40) REN
Hydrochloric Acid SCHEMBL7355582 0.89 REN (0.40) REN
SCHEMBL7322478 0.89 REN (0.36) REN
SCHEMBL7322468 0.89 REN (0.36) REN
SCHEMBL7326621 0.88 REN (0.42) RENPSMB5KMT2ACDYL2CDYL
SCHEMBL7317681 0.88 REN (0.42) REN
SCHEMBL7316055 0.88 REN (0.42) REN
Hydrochloric Acid SCHEMBL7323642 0.87 REN (0.42) RENPSMB5KMT2ACDYL2CDYL

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-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 EP claimed
EP-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 EP disclosed