SCHEMBL7359101

SCHEMBL7359101

O=C(O)N(C(CC1CCCCC1)C(O)c1nccn1COCc1ccccc1)C(CC1CCCCC1)C(O)c1nccn1COCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.39
CTSB P07858 4/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 4/20 0.38
ATM Q13315 1/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
LNPEP Q9UIQ6 1/20 0.35
USP19 O94966 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34

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
SCHEMBL7359089 1.00 CTSS (0.39) CTSSCTSBCTSKCTSLATM
SCHEMBL9642305 0.85 METAP2 (0.41) CTSSCTSBCTSKCTSLOPRD1
SCHEMBL7324654 0.85 METAP2 (0.41) CTSSCTSBCTSKCTSLOPRD1
SCHEMBL7316845 0.84 CTSS (0.41) CTSSCTSBCTSKCTSLCNR2
SCHEMBL9641169 0.84 CTSS (0.41) CTSSCTSBCTSKCTSLCNR2
SCHEMBL7366123 0.79 CTSS (0.33) CTSSCTSBCTSKCTSLLNPEP
SCHEMBL7320023 0.79 CTSS (0.32) CTSSCTSBCTSKCTSLLNPEP
SCHEMBL7320027 0.79 CTSS (0.34) CTSSCTSBCTSKCTSL
SCHEMBL7320165 0.77 REN (0.40) CTSSCTSBCTSKCTSL
SCHEMBL7320151 0.77 REN (0.41)

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-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 EP disclosed