SCHEMBL10714989

SCHEMBL10714989

CC(C)OC(=O)C(O)(C(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](N)CC1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 8/20 0.32
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSH P09668 1/20 0.31
▸ CTSC P53634 1/20 0.31
▸ CTSK P43235 2/20 0.30
▸ CPB1 P15086 1/20 0.30
▸ CPB2 Q96IY4 1/20 0.30

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
SCHEMBL10422486 0.89 LNPEP (0.35) LNPEP
SCHEMBL10421180 0.85 CTSS (0.42) CTSK
SCHEMBL10420913 0.82 REN (0.46) —
Hydrochloric Acid SCHEMBL10704612 0.78 TDP1 (0.31) LNPEPCPB1CPB2
SCHEMBL10422480 0.76 REN (0.45) —
SCHEMBL9740788 0.76 POLB (0.34) CTSCCTSK
SCHEMBL30799721 0.72 LTA4H (0.47) CTSCCPB2
SCHEMBL6434283 0.71 MAP3K7 (0.32) —
SCHEMBL6434286 0.71 MAP3K7 (0.32) —
SCHEMBL7282601 0.71 REN (0.42) —

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
EP-0281316-A2 Renin inhibitors YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-07 — — EP disclosed
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