SCHEMBL7284052

SCHEMBL7284052

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.47
METAP2 P50579 7/20 0.44
METAP1 P53582 5/20 0.40
EPHX1 P07099 1/20 0.39
CPB2 Q96IY4 2/20 0.38
CTSK P43235 1/20 0.36
CTSD P07339 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
Acetic Acid SCHEMBL7273055 0.96 REN (0.45) RENMETAP2METAP1EPHX1CPB2
SCHEMBL7281935 0.83 CTSK (0.40) RENMETAP2METAP1EPHX1CPB2
SCHEMBL7281939 0.83 REN (0.42) RENMETAP2METAP1EPHX1CPB2
SCHEMBL7271640 0.81 CTSD (0.49) RENMETAP2METAP1CPB2CTSD
SCHEMBL10408931 0.81 CTSD (0.49) RENMETAP2METAP1CPB2CTSD
Acetic Acid SCHEMBL7294621 0.77 REN (0.46) RENMETAP2METAP1EPHX1CPB2
SCHEMBL7296285 0.77 REN (0.48) RENMETAP2METAP1CTSD
SCHEMBL7294582 0.77 REN (0.48) RENMETAP2METAP1CTSD
SCHEMBL7274162 0.76 REN (0.55) RENMETAP2METAP1
SCHEMBL7273041 0.75 REN (0.40) RENMETAP2METAP1CPB2

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