SCHEMBL8401926

SCHEMBL8401926

COc1ccc(N(C(=O)CN2C(=O)C(NC(=O)Nc3cccc(C(=O)O)c3)C(=O)N(c3cccnc3)c3ccccc32)C(C)C)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 11/20 0.77
CCKBR P32239 11/20 0.77

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
SCHEMBL8401977 0.94 CCKAR (0.86) CCKARCCKBR
SCHEMBL8401850 0.93 CCKAR (0.66) CCKARCCKBR
SCHEMBL3890199 0.86 CCKAR (1.00) CCKARCCKBR
SCHEMBL29440045 0.86 CCKAR (1.00) CCKARCCKBR
SCHEMBL8405631 0.82 CCKAR (0.80) CCKARCCKBR
SCHEMBL8804393 0.81 CCKAR (0.60) CCKARCCKBR
SCHEMBL8402276 0.81 CCKAR (0.59) CCKARCCKBR
SCHEMBL7747691 0.80 CCKBR (1.00) CCKARCCKBR
SCHEMBL8519223 0.79 CCKAR (0.58) CCKARCCKBR
SCHEMBL8401920 0.79 CCKBR (0.47) CCKARCCKBR

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
EP-0756602-B1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC (US) 1999-06-30 EP disclosed