SCHEMBL9739658

SCHEMBL9739658

CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)OC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.51
CTSS P25774 8/20 0.46
CTSL P07711 3/20 0.43
PSMB5 P28074 1/20 0.42
CTSK P43235 1/20 0.41

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
SCHEMBL4449644 0.81 CTSS (0.44) RENCTSSCTSLCTSK
SCHEMBL4454183 0.81 CTSS (0.44) RENCTSSCTSLCTSK
SCHEMBL6062505 0.79 CTSS (0.52) CTSSCTSLCTSK
SCHEMBL6062496 0.79 CTSS (0.52) CTSSCTSLCTSK
SCHEMBL4459425 0.78 CTSS (0.47) RENCTSSCTSLCTSK
SCHEMBL6876245 0.74 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL8350092 0.73 TSHR (0.47) CTSS
SCHEMBL4044979 0.73 TSHR (0.47) CTSS
SCHEMBL9622591 0.71 LTA4H (0.52) REN
SCHEMBL9622584 0.71 LTA4H (0.52) 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 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