SCHEMBL9038435

SCHEMBL9038435

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.61
CAPN1 P07384 2/20 0.60
CAPN2 P17655 1/20 0.60
CTSS P25774 7/20 0.59
CTSL P07711 3/20 0.59
CTSB P07858 2/20 0.59
CA5A P35218 1/20 0.55

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
SCHEMBL21885556 0.90 CTSK (0.63) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL18154376 0.90 CTSK (0.63) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL9223452 0.88 CTSS (0.53) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL30392055 0.88 CTSS (0.55) CTSKCTSSCTSLCTSB
SCHEMBL10430509 0.88 CAPN1 (0.66) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL23518261 0.87 SYK (0.52) CTSKCTSSCTSLCTSB
SCHEMBL9215416 0.87 SYK (0.52) CTSKCTSSCTSLCTSB
SCHEMBL21428920 0.87 CTSK (0.58) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL18261742 0.87 CTSS (0.53) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL28536287 0.87 CTSS (0.53) CTSKCAPN1CAPN2CTSSCTSL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0491943-A4 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RORER INT HOLDINGS (US) 1996-02-14 EP disclosed
EP-0491943-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-01 EP disclosed
WO-1992000295-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-01-09 WO disclosed