SCHEMBL9704481

SCHEMBL9704481

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.43
CCKBR P32239 13/20 0.43
CCKAR P32238 7/20 0.43
GABRA1 P14867 3/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRA5 P31644 3/20 0.42
GABRA3 P34903 3/20 0.42
GABRA2 P47869 3/20 0.42
GABRB2 P47870 3/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRA4 P48169 2/20 0.41

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
SCHEMBL9702894 0.88 CCKBR (0.49) CCKBRCCKARGABRA1GABRG2GABRB3
SCHEMBL9703573 0.85 CCKBR (0.55) CCKBRCCKARGABRA1GABRG2GABRB3
SCHEMBL9702828 0.85 CCKBR (0.48) PGRCCKBRCCKARGABRA1GABRG2
SCHEMBL6005194 0.70 CCKBR (0.69) CCKBRCCKARGABRA1GABRG2GABRB3
SCHEMBL6005714 0.67 CCKBR (0.65) CCKBRCCKARGABRA1GABRG2GABRB3
SCHEMBL6005717 0.67 CCKBR (0.65) CCKBRCCKARGABRA1GABRG2GABRB3
SCHEMBL9703671 0.66 PTH1R (0.49) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL9705380 0.65 PTH1R (0.50) CCKBRCCKARGABRA1GABRG2GABRB3
SCHEMBL11482488 0.63 GABRA1 (0.70) CCKBRCCKARGABRA1GABRG2GABRB3
SCHEMBL1367774 0.61 GABRA1 (0.78) 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 disclosed