SCHEMBL9848810

SCHEMBL9848810

Fc1ccccc1C1=NCC(=S)N(CC(F)(F)F)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.41
NR1I2 O75469 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
OPRM1 P35372 1/20 0.41
CHRM1 P11229 2/20 0.39
DRD3 P35462 2/20 0.39
GHSR Q92847 2/20 0.39
HTR1A P08908 1/20 0.39
HTR3A P46098 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CCKBR P32239 2/20 0.38
PTAFR P25105 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
CYP3A4 P08684 2/20 0.36
SLC22A1 O15245 1/20 0.35

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
Quazepam SCHEMBL29504 0.87 OPRK1 (0.58) OPRK1NR1I2ADORA3OPRM1CHRM1
Quazepam SCHEMBL29534458 0.87 OPRK1 (0.58) OPRK1NR1I2ADORA3OPRM1CHRM1
Quazepam SCHEMBL21647120 0.86 OPRK1 (0.57) OPRK1NR1I2ADORA3OPRM1CHRM1
SCHEMBL9757526 0.76 OPRK1 (0.59) OPRK1NR1I2ADORA3OPRM1DRD3
Quazepam SCHEMBL3177949 0.75 OPRK1 (0.45) OPRK1NR1I2ADORA3OPRM1CHRM1
Quazepam SCHEMBL1181404 0.74 OPRK1 (0.66) OPRK1NR1I2ADORA3OPRM1DRD3
SCHEMBL5379874 0.73 OPRK1 (0.77) OPRK1NR1I2ADORA3OPRM1CHRM1
SCHEMBL13531318 0.72 OPRK1 (0.62) OPRK1NR1I2ADORA3OPRM1CHRM1
SCHEMBL3249926 0.70 NR1I2 (0.74) OPRK1NR1I2ADORA3OPRM1KCNH2
SCHEMBL6004989 0.70 GABRP (0.44) KCNH2CCKBRGABRA1GABRA5GABRA3

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
EP-0428272-A2 Trifluorobenzodiazepine compounds for use in therapy by intraoral administration Ellinwood, Everett Hews (US) 1991-05-22 EP disclosed