SCHEMBL9702894

SCHEMBL9702894

CN1C(=O)N(C(=O)c2ccc(F)cc2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.49
GABRA1 P14867 3/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA3 P34903 3/20 0.44
GABRA2 P47869 3/20 0.44
GABRB2 P47870 3/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CCKAR P32238 6/20 0.44
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43

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) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL9704481 0.88 PGR (0.43) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL9702828 0.83 CCKBR (0.48) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL9703671 0.75 PTH1R (0.49) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL27567896 0.67 CCKBR (0.46) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL9238180 0.66 GABRA1 (0.79) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL9867659 0.66 CCKBR (1.00) CCKBR
SCHEMBL5002433 0.66 CCKBR (0.58) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL4182811 0.66 CCKBR (0.58) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL22222935 0.66 CCKBR (0.43) 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 2 patents. 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
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 disclosed