SCHEMBL8555248

SCHEMBL8555248

CN(C(=O)CN1C(=O)C(NC(=O)O)N=C(CN2CCOCC2)c2ccccc21)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.41
POLB P06746 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
CCKBR P32239 4/20 0.39
CBLB Q13191 4/20 0.39
DRD4 P21917 1/20 0.39
BDKRB1 P46663 2/20 0.38
CCKAR P32238 3/20 0.38

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
SCHEMBL8552793 0.91 CCKBR (0.48) CCKBRBDKRB1CCKAR
SCHEMBL8553824 0.87 POLB (0.41) OXTRPOLBCBLBDRD4
SCHEMBL8552604 0.86 CCKBR (0.48) CCKBRCCKAR
SCHEMBL1388598 0.85 CCKBR (0.59) CCKBRCCKAR
SCHEMBL8554471 0.84 CCKBR (0.49) CCKBRCCKAR
Hydrochloric Acid SCHEMBL9007292 0.84 CCKBR (0.58) CCKBRCCKAR
SCHEMBL1388679 0.84 CCKBR (0.53) CCKBRCCKAR
SCHEMBL8555479 0.84 CCKBR (0.43) OXTRPOLBCCKBRCCKAR
SCHEMBL9007285 0.83 CCKBR (0.45) CCKBRCCKAR
SCHEMBL9007270 0.83 CCKBR (0.39) POLBCCKBRDRD4CCKAR

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
EP-0672037-B1 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS GLAXO GROUP LTD (GB) 1998-07-08 EP disclosed
US-5569654-A ADMINISTERING AS ANTAGONISTS OF GASTRIN AND CHOLECYSTOKININ GLAXO GROUP LIMITED (GB) 1996-10-29 US disclosed