SCHEMBL8561874

SCHEMBL8561874

CCOC(=O)C(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.56
SYK P43405 1/20 0.53
ATM Q13315 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CTSK P43235 4/20 0.50
HSD17B10 Q99714 1/20 0.50
CTSL P07711 5/20 0.49
CTSS P25774 5/20 0.49
CTSB P07858 2/20 0.49
ELANE P08246 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.48

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
SCHEMBL561049 0.94 CTRB1 (0.55) CTRB1SYKATMNPC1RAB9A
SCHEMBL10612691 0.91 CTRB1 (0.61) CTRB1SYKATMCTSKCTSL
SCHEMBL10906071 0.90 ALDH1A1 (0.53) CTRB1SYKATMNPC1RAB9A
SCHEMBL10873730 0.88 CTRB1 (0.58) CTRB1SYKATMNPC1RAB9A
SCHEMBL6979650 0.88 CTRB1 (0.65) CTRB1SYKATMNPC1RAB9A
SCHEMBL18334515 0.85 CTRB1 (0.58) CTRB1SYKATMNPC1RAB9A
SCHEMBL9192816 0.85 CTRB1 (0.58) CTRB1SYKATMNPC1RAB9A
SCHEMBL10787497 0.84 CTRB1 (0.60) CTRB1ATMNPC1RAB9ACTSK
SCHEMBL2949041 0.84 CTSK (0.57) CTRB1ATMNPC1RAB9ACTSK
SCHEMBL2949040 0.84 CTSK (0.57) CTRB1ATMNPC1RAB9ACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 EP disclosed
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US disclosed
US-5686449-A 1,5-benzodiazepines useful as gastrinor CCK-antagonists GLAXO WELLCOME S.P.A. (IT) 1997-11-11 US disclosed
EP-0710230-A1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO S.p.A. (IT) 1996-05-08 EP disclosed
WO-1995003285-A1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO SPA (IT) 1995-02-02 WO disclosed
US-4090027-A APPETITE SUPPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1978-05-16 US disclosed
US-4077978-A APPETITE SUPPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1978-03-07 US disclosed
US-3996374-A Isoindole derivatives as appetite suppressants HOFFMANN-LA ROCHE INC. (US) 1976-12-07 US disclosed