SCHEMBL7754062

SCHEMBL7754062

COc1ccc(CN2C(=O)C(N)C(=O)N(c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.47
GSK3B P49841 3/20 0.46
ADK P55263 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GSK3A P49840 1/20 0.45
POLB P06746 1/20 0.44
CASP3 P42574 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
CCKAR P32238 1/20 0.43
CCKBR P32239 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
NR1H3 Q13133 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8560971 0.80 CCKBR (0.50) CMA1GSK3BADKL3MBTL1GSK3A
SCHEMBL3173671 0.77 GSK3B (0.52) CMA1GSK3BADKL3MBTL1GSK3A
SCHEMBL4422395 0.77 GSK3B (0.52) CMA1GSK3BADKL3MBTL1GSK3A
SCHEMBL4429210 0.77 GSK3B (0.52) CMA1GSK3BADKL3MBTL1GSK3A
SCHEMBL8559078 0.77 BACE1 (0.50) CMA1GSK3BADKL3MBTL1CCKBR
SCHEMBL7751752 0.76 CCKAR (0.70) CCKARCCKBR
Hydrochloric Acid SCHEMBL3854466 0.76 GSK3B (0.51) CMA1GSK3BADKL3MBTL1GSK3A
SCHEMBL7041976 0.76 CCKBR (0.50) MEN1KMT2ACCKARCCKBR
SCHEMBL4424441 0.76 GAA (0.46) L3MBTL1POLBMEN1KMT2AGAA
SCHEMBL8638401 0.75 CCKBR (0.59) GSK3BL3MBTL1GSK3ACASP3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694039-B1 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC AND OR AGONISTIC ACTIVITY GLAXO WELLCOME INC (US) 2001-01-24 EP disclosed
US-5646140-A CHOLECYSTOKININ ANTAGONIST; APETITE CONTROL GLAXO WELLCOME INC. (US) 1997-07-08 US disclosed
WO-1994024149-A1 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC OR AGONISTIC ACTIVITY GLAXO INC. (US) 1994-10-27 WO disclosed