SCHEMBL7317710

SCHEMBL7317710

O=C(c1nccs1)C(CC1CCCCC1)NC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.61
POLB P06746 1/20 0.43
EPHX2 P34913 1/20 0.43
F2 P00734 11/20 0.43
PRSS1 P07477 9/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
GCK P35557 2/20 0.40
RBBP9 O75884 1/20 0.39

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
SCHEMBL7317703 1.00 CTSK (0.61) CTSKPOLBEPHX2F2PRSS1
SCHEMBL8337500 0.79 CTSK (0.53) CTSKPOLBEPHX2GRNSORT1
SCHEMBL8337771 0.78 CTSK (0.51) CTSKPOLBEPHX2GRNSORT1
SCHEMBL7316693 0.74 POLB (0.43) CTSKPOLBEPHX2GCK
SCHEMBL7316703 0.74 POLB (0.43) CTSKPOLBEPHX2GCK
SCHEMBL3306590 0.69 ALDH1A1 (0.50) CTSKRBBP9
SCHEMBL17661712 0.69 CTSK (0.60) CTSKF2PRSS1RBBP9
SCHEMBL17661702 0.69 CTSK (0.60) CTSKF2PRSS1RBBP9
SCHEMBL17646249 0.69 CTSB (0.53) CTSKF2PRSS1
SCHEMBL17665987 0.69 CTSB (0.53) CTSKF2PRSS1

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 4 patents. 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
US-4981843-A HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1991-01-01 US disclosed
US-4885292-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1989-12-05 US disclosed
EP-0337295-A2 Renin-inhibiting N-heterocyclic dipeptides E.R. Squibb & Sons, Inc. (US) 1989-10-18 EP disclosed