SCHEMBL7274495

SCHEMBL7274495

CC1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.60
CTSK P43235 3/20 0.60
CTSB P07858 2/20 0.60
CTSL P07711 1/20 0.60
SCN9A Q15858 7/20 0.59
AKT1 P31749 1/20 0.53
CCKAR P32238 1/20 0.53
CCKBR P32239 1/20 0.53
ACE P12821 1/20 0.53

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
SCHEMBL7367771 0.91 BCL2 (0.60) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL3054407 0.87 SCN9A (0.64) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL3957208 0.85 SCN9A (0.58) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL9383811 0.85 CTSS (0.58) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL9383807 0.85 CTSS (0.58) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL27424652 0.84 CTSS (0.57) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL27424651 0.84 CTSS (0.57) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL7063605 0.83 SCN9A (0.51) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL7065346 0.83 SCN9A (0.51) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL4868278 0.83 SCN9A (0.53) CTSSCTSKCTSBCTSLSCN9A

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-4954512-A Anti-ulcer composition Okamoto, Shosuke (JP) 1990-09-04 US disclosed
EP-0317959-A2 Anti-ulcer composition Okamoto, Shosuke (JP) 1989-05-31 EP disclosed