SCHEMBL8805017

SCHEMBL8805017

C=CCC1(COC)C(=O)N(CC(=O)N(c2ccc(OC)cc2)C(C)C)c2ccccc2N(c2ccccc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 16/20 0.57
CCKBR P32239 13/20 0.57

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
SCHEMBL8804651 0.88 CCKAR (0.68) CCKARCCKBR
SCHEMBL8804618 0.88 CCKAR (0.68) CCKARCCKBR
SCHEMBL8814489 0.86 CCKAR (0.74) CCKARCCKBR
SCHEMBL8805335 0.82 CCKAR (0.60) CCKARCCKBR
SCHEMBL8806647 0.81 CCKAR (0.60) CCKARCCKBR
SCHEMBL8812239 0.80 CCKAR (0.71) CCKARCCKBR
SCHEMBL8805505 0.79 CCKAR (0.71) CCKARCCKBR
SCHEMBL8803760 0.77 CCKAR (0.62) CCKARCCKBR
SCHEMBL8813282 0.76 CCKAR (0.70) CCKARCCKBR
SCHEMBL8812430 0.76 CCKAR (0.85) 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 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 disclosed
WO-1995028391-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed