SCHEMBL9741069

SCHEMBL9741069

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC1CCCCC1)[C@H](O)c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.47
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTSD P07339 1/20 0.44
CTSE P14091 1/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL9741074 1.00 REN (0.47) RENGAAL3MBTL1CTSDCTSE
SCHEMBL9705257 0.89 REN (0.46) RENCTSDCTSECTSSCTSK
SCHEMBL9705262 0.89 REN (0.46) RENCTSDCTSECTSSCTSK
SCHEMBL9849779 0.87 GAA (0.47) RENGAAL3MBTL1CTSDCTSS
SCHEMBL9849789 0.87 GAA (0.47) RENGAAL3MBTL1CTSDCTSS
SCHEMBL9740591 0.84 REN (0.54) REN
SCHEMBL9740589 0.84 REN (0.54) REN
SCHEMBL9749328 0.83 REN (0.53) RENCTSDCTSE
SCHEMBL9740697 0.82 REN (0.41) RENCTSK
SCHEMBL9740699 0.82 REN (0.41) RENCTSK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed