SCHEMBL8554316

SCHEMBL8554316

CC1=N[C@@H](NC(=O)OC(C)c2ccccc2)C(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.41
CCKBR P32239 9/20 0.40
CCKAR P32238 5/20 0.40
LPAR1 Q92633 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
SENP1 Q9P0U3 1/20 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
SCHEMBL8550878 0.86 CCKBR (0.45) OXTRCCKBRCCKARALDH1A1
SCHEMBL8798046 0.77 SENP1 (0.52) CCKBRCCKARALDH1A1SENP1
SCHEMBL8552734 0.76 POLB (0.44) CCKBRCCKARALDH1A1
SCHEMBL8553890 0.76 CCKBR (0.67) CCKBRCCKAR
SCHEMBL8555479 0.75 CCKBR (0.43) OXTRCCKBRCCKAR
SCHEMBL8547267 0.74 CCKBR (0.57) CCKBRCCKARSENP1
SCHEMBL8597611 0.74 CCKBR (0.57) CCKBRCCKAR
SCHEMBL8545924 0.74 SENP1 (0.52) OXTRCCKBRCCKARSENP1
SCHEMBL9592825 0.73 CCKBR (0.63) CCKBRCCKARSENP1
SCHEMBL8555248 0.70 OXTR (0.41) OXTRCCKBRCCKARPSEN1PSEN2

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