SCHEMBL7273041

SCHEMBL7273041

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.40
METAP2 P50579 5/20 0.39
METAP1 P53582 3/20 0.39
LTA4H P09960 1/20 0.38
CPB2 Q96IY4 6/20 0.37

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
SCHEMBL7284052 0.75 REN (0.47) RENMETAP2METAP1CPB2
Acetic Acid SCHEMBL7273055 0.75 REN (0.45) RENMETAP2METAP1LTA4HCPB2
SCHEMBL7284456 0.73 REN (0.44) RENMETAP2METAP1LTA4H
SCHEMBL272993 0.72 REN (0.47) RENMETAP2METAP1
SCHEMBL7151431 0.72 REN (0.47) RENMETAP2METAP1
SCHEMBL21690082 0.72 REN (0.47) RENMETAP2METAP1
SCHEMBL7274619 0.71 REN (0.46) RENMETAP2METAP1
SCHEMBL9502249 0.71 ALDH1A1 (0.46) RENMETAP2METAP1
SCHEMBL10659068 0.71 ALDH1A1 (0.46) RENMETAP2METAP1
SCHEMBL7275103 0.71 ALDH1A1 (0.46) RENMETAP2METAP1

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
WO-1992007845-A1 DERIVATIVES OF AMINO ACIDS AS INHIBITORS OF RENIN, METHODS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-14 WO disclosed
EP-0483403-A1 Derivatives of amino acids as inhibitors of renin, methods for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-06 EP disclosed