SCHEMBL7367978

SCHEMBL7367978

NC(=O)[C@H](Cc1cncn1COCc1ccccc1)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccn1COCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.37
CTSB P07858 2/20 0.35
CTSL P07711 1/20 0.35
REN P00797 11/20 0.34
CCR1 P32246 1/20 0.34
CTSK P43235 1/20 0.34
GPR132 Q9UNW8 1/20 0.33
PSMB11 A5LHX3 1/20 0.33
PSMA7 O14818 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMA1 P25786 1/20 0.33
PSMA2 P25787 1/20 0.33
PSMA3 P25788 1/20 0.33
PSMA4 P25789 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB9 P28065 1/20 0.33
PSMA5 P28066 1/20 0.33
PSMB4 P28070 1/20 0.33
PSMB6 P28072 1/20 0.33
PSMB5 P28074 1/20 0.33

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
SCHEMBL7321559 0.90 CTSS (0.36) CTSSCTSBCTSLRENCTSK
SCHEMBL7382471 0.88 CTSS (0.39) CTSSCTSBCTSLRENCTSK
SCHEMBL9642432 0.87 REN (0.39) CTSSREN
SCHEMBL9642437 0.84 REN (0.48) REN
SCHEMBL7427996 0.83 PLK1 (0.36) CTSSCTSBCTSLRENCCR1
SCHEMBL7417064 0.83 REN (0.42) CTSSCTSBCTSLREN
SCHEMBL7366123 0.81 CTSS (0.33) CTSSCTSBCTSLCCR1CTSK
SCHEMBL9641169 0.80 CTSS (0.41) CTSSCTSBCTSLRENCTSK
SCHEMBL7316845 0.80 CTSS (0.41) CTSSCTSBCTSLRENCTSK
SCHEMBL7409474 0.80 REN (0.37) CTSSCTSBCTSLRENCCR1

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
US-5055466-A Renin inhibitors E. R. SQUIBB & SONS, INC. (US) 1991-10-08 US disclosed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 EP disclosed