SCHEMBL8681102

SCHEMBL8681102

O=C(N[C@H]1N=C(C2CCCCC2)c2ccccc2NC1=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.53
PSEN2 P49810 2/20 0.53
APH1B Q8WW43 2/20 0.53
NCSTN Q92542 2/20 0.53
APH1A Q96BI3 2/20 0.53
PSENEN Q9NZ42 2/20 0.53
CCKBR P32239 5/20 0.48
NAAA Q02083 4/20 0.46
ASAH1 Q13510 1/20 0.46
EPHX1 P07099 1/20 0.45
CCKAR P32238 4/20 0.44
ALDH1A1 P00352 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43

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
SCHEMBL8824697 1.00 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8681100 1.00 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4416902 1.00 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8824704 1.00 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8824701 1.00 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9301646 0.99 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9301649 0.99 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9301651 0.99 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8879269 0.97 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8879278 0.97 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834464-A ANXIOLYTIC AGENTS, CHOLECYSTOKININ B ANTAGONISTS MERCK & CO., INC. (US) 1998-11-10 US disclosed
US-5681833-A ADMINSTERING FOR TREATMENT OF PEPTIC ULCER MERCK, SHARP & DOHME LTD. (GB) 1997-10-28 US disclosed
US-5597915-A ANTAGONISTS OF CHOLECYSTOKININ AND GASTRIN RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1997-01-28 US disclosed
US-5556969-A Benzodiazepine derivatives MERCK SHARP & DOHME LTD. (GB) 1996-09-17 US disclosed
EP-0549039-B1 3-Phenylureido-1,4-Benzodiazepinones and their use as cholecystokinin or gastrin antagonists MERCK SHARP & DOHME (GB) 1995-08-09 EP disclosed
US-5439906-A Antiarrhythmic benzodiazepines MERCK & CO., INC. (US) 1995-08-08 US disclosed
US-5410049-A Gastrin and cholecystokinin inhibitor MERCK SHARPE & DOHME LTD. (GB) 1995-04-25 US disclosed
EP-0637308-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LTD. (GB) 1995-02-08 EP disclosed
EP-0636123-A1 3-UREIDO SUBSTITUTED BENZODIAZEPIN-2-ONES HAVING CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTIC ACTIVITY AND THEIR USE IN THERAPY MERCK SHARP & DOHME LTD. (GB) 1995-02-01 EP disclosed
US-5360802-A Antagonists of cholecystokinin and gastrin MERCK SHARPE & DOHME LTD. 1994-11-01 US disclosed
WO-1993019052-A1 3-UREIDO SUBSTITUTED BENZODIAZEPIN-2-ONES HAVING CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTIC ACTIVITY AND THEIR USE IN THERAPY MERCK SHARP & DOHME LIMITED (GB) 1993-09-30 WO disclosed
WO-1993019063-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LIMITED (GB) 1993-09-30 WO disclosed
EP-0549039-A1 3-Phenylureido-1,4-Benzodiazepinones and their use as cholecystokinin or gastrin antagonists MERCK SHARP & DOHME LTD. (GB) 1993-06-30 EP disclosed
EP-0514133-A1 Benzodiazepine derivatives, compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1992-11-19 EP disclosed