SCHEMBL8814705

SCHEMBL8814705

COc1ccc(C(C(N)=O)(C(C)C)N2C(=O)C(CC(=O)Nc3ccccc3)C(=O)N(c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 3/20 0.49
CCKBR P32239 3/20 0.49
TP53 P04637 4/20 0.46
GAA P10253 3/20 0.45
MAPT P10636 7/20 0.44
POLB P06746 3/20 0.44
ALDH1A1 P00352 4/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADAM17 P78536 1/20 0.40

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
SCHEMBL8808190 0.81 MAPT (0.43) CCKARCCKBRGAAMAPTALDH1A1
SCHEMBL8813766 0.81 CCKAR (0.39) CCKARCCKBR
SCHEMBL8816172 0.77 KIF11 (0.35) CCKARCCKBRMAPTPOLBALDH1A1
SCHEMBL8812237 0.75 CCKAR (0.40) CCKARCCKBRMAPTPOLBALDH1A1
SCHEMBL8519231 0.74 GAA (0.37) CCKARCCKBRTP53GAAMAPT
SCHEMBL8804640 0.74 CCKAR (0.85) CCKARCCKBR
SCHEMBL7753002 0.73 CCKBR (0.37) CCKARCCKBRGAAMAPTALDH1A1
SCHEMBL8401920 0.72 CCKBR (0.47) CCKARCCKBR
SCHEMBL8405648 0.71 ALDH1A1 (0.33) CCKARCCKBRGAAMAPTALDH1A1
SCHEMBL8797040 0.68 NOTCH1 (0.45) CCKBR

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-0755384-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1997-01-29 EP claimed
WO-1995028391-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1995-10-26 WO claimed