SCHEMBL9544058

SCHEMBL9544058

Cc1ccc2c(c1)C(c1ccccc1)CC(N)C(=O)N2CC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.47
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
AADAT Q8N5Z0 1/20 0.37

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
SCHEMBL8398546 0.91 CCKBR (0.48) CCKBR
SCHEMBL8921634 0.89 CCKBR (0.47) CCKBRMEN1ALDH1A1KMT2ACYP2C19
SCHEMBL9542926 0.87 CCKBR (0.49) CCKBRMEN1KMT2ACYP2C19
SCHEMBL9541664 0.87 CCKBR (0.48) CCKBRCYP2C19
SCHEMBL8920848 0.86 CYP2C19 (0.47) CCKBRKMT2ACYP2C19SIGMAR1
SCHEMBL8924403 0.86 CCKBR (0.64) CCKBR
SCHEMBL8913293 0.84 CCKBR (0.46) CCKBRAADAT
SCHEMBL8402157 0.81 CCKBR (0.50) CCKBRCYP2C19
SCHEMBL8401370 0.80 CCKBR (0.48) CCKBR
SCHEMBL8398551 0.80 CYP2C19 (0.41) CCKBRCYP2C19AADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO disclosed