SCHEMBL8797702

SCHEMBL8797702

CC(C)C(C(N)=O)(c1ccccc1)N1C(=O)C(NC(=O)c2cc3ccccc3n2CC(=O)O)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.54
CCKAR P32238 9/20 0.54
ADRB2 P07550 1/20 0.42
TSPO P30536 1/20 0.42
GLP1R P43220 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
NOTCH1 P46531 3/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
RBPJ Q06330 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
NOTCH3 Q9UM47 2/20 0.41

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
SCHEMBL7752996 0.79 CCKBR (0.47) CCKBRCCKAR
SCHEMBL8783598 0.79 ACE (0.44) CCKBR
SCHEMBL8795891 0.75 GABRP (0.55) CCKBRCCKARNOTCH1PSEN1PSEN2
SCHEMBL9423149 0.74 CCKBR (0.75) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL8089998 0.73 F10 (0.44)
SCHEMBL8095747 0.73 F10 (0.44)
SCHEMBL8095859 0.73 F10 (0.44)
SCHEMBL7752708 0.72 CCKBR (0.46) CCKBRCCKAR
SCHEMBL8089888 0.72 F10 (0.41) CCKBRCCKAR
SCHEMBL7306632 0.71 CCKBR (0.60) CCKBRCCKARADRB2TSPOGLP1R

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-0755394-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
WO-1995028399-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed