SCHEMBL9702828

SCHEMBL9702828

CN1C(=O)N(C(=O)c2ccc(Cl)c(Cl)c2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.48
CCKAR P32238 5/20 0.45
PGR P06401 4/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 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
SCHEMBL9703573 0.88 CCKBR (0.55) CCKBRCCKARGABRA1GABRG2GABRB3
SCHEMBL9704481 0.85 PGR (0.43) CCKBRCCKARPGRGABRA1GABRG2
SCHEMBL9702894 0.83 CCKBR (0.49) CCKBRCCKARGABRA1GABRG2GABRB3
SCHEMBL9703395 0.75 PGR (0.53) CCKBRCCKARPGRGABRA1GABRG2
SCHEMBL6003724 0.70 CCKBR (0.69) CCKBRCCKARGABRA1GABRG2GABRB3
SCHEMBL6005695 0.67 CCKBR (0.65) CCKBRCCKARGABRA1GABRG2GABRB3
SCHEMBL6005697 0.67 CCKBR (0.65) CCKBRCCKARGABRA1GABRG2GABRB3
SCHEMBL9705380 0.67 PTH1R (0.50) CCKBRCCKARGABRA1GABRG2GABRB3
SCHEMBL9866255 0.65 CCKBR (1.00) CCKBR
SCHEMBL9703671 0.64 PTH1R (0.49) CCKBRGABRA1GABRG2GABRB3GABRA5

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
US-5091381-A Detection of peripheral benzodiazepine receptor activity in cell or tissue by labelled compounds using radioisotopes or cytoxic agents BIOMEASURE, INC. (US) 1992-02-25 US claimed