SCHEMBL7284371

SCHEMBL7284371

CC(C)(C)OC(=O)NC1CCN(C(=O)O[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(N)=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 7/20 0.52
▸ MAPT P10636 3/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.49
▸ NTSR1 P30989 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CCKBR P32239 1/20 0.41
▸ YAP1 P46937 2/20 0.40

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
SCHEMBL7284363 1.00 REN (0.52) RENMAPTMAPK1NPSR1KMT2A
SCHEMBL7280728 0.87 REN (0.51) REN
SCHEMBL7280722 0.87 REN (0.51) REN
SCHEMBL7302163 0.83 REN (0.48) RENNPSR1KMT2AMEN1
SCHEMBL9417301 0.82 REN (0.43) REN
SCHEMBL9417278 0.80 CTSL (0.44) RENMAPT
SCHEMBL7381400 0.79 KMT2A (0.51) RENMAPTMAPK1NPSR1KMT2A
SCHEMBL7307138 0.79 KMT2A (0.51) RENMAPTMAPK1NPSR1KMT2A
SCHEMBL9551311 0.78 REN (0.64) RENCCKBR
SCHEMBL10408622 0.76 MMP2 (0.44) REN

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
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