SCHEMBL9705387

SCHEMBL9705387

Cc1cccc2c1C(c1ccccc1)=NN(c1ccc(Cl)cc1)C(=O)N2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.38
OPRK1 P41145 2/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
CACNA1F O60840 1/20 0.37
ALB P02768 1/20 0.37

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
SCHEMBL9703681 0.88 CCKBR (0.38) CCKBRGABRPGABRDGABRA1GABRB1
SCHEMBL9703566 0.88 CCKBR (0.38) CCKBRGABRPGABRDGABRA1GABRB1
SCHEMBL6735096 0.69 MEN1 (0.46) MEN1KMT2ALMNAMAPTHTT
SCHEMBL9705380 0.67 PTH1R (0.50) CCKBROPRK1GABRPGABRDGABRA1
SCHEMBL9525814 0.64 MEN1 (0.40) CCKBRMEN1KMT2ALMNAMAPT
SCHEMBL9703573 0.63 CCKBR (0.55) CCKBROPRK1GABRPGABRDGABRA1
SCHEMBL6733231 0.62 MAPT (0.46) MEN1KMT2ALMNAMAPTHTT
SCHEMBL6728069 0.62 MAPT (0.46) MEN1KMT2ALMNAMAPTHTT
SCHEMBL6730982 0.61 APP (0.46) MEN1KMT2ALMNAMAPTHTT
SCHEMBL10382652 0.60 MAPT (0.55) MEN1KMT2ALMNAMAPTHTT

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 disclosed