SCHEMBL9757526

SCHEMBL9757526

FC(F)(F)CN1C(=S)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.59
NR1I2 O75469 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
OPRM1 P35372 1/20 0.59
TP53 P04637 2/20 0.54
LMNA P02545 1/20 0.51
GABRA1 P14867 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
HTR2A P28223 1/20 0.50
ADRA1A P35348 1/20 0.50
PDE4D Q08499 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45

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 0.90 OPRK1 (0.58) OPRK1NR1I2ADORA3OPRM1TP53
Quazepam SCHEMBL29534458 0.90 OPRK1 (0.58) OPRK1NR1I2ADORA3OPRM1TP53
Quazepam SCHEMBL21647120 0.89 OPRK1 (0.57) OPRK1NR1I2ADORA3OPRM1TP53
Quazepam SCHEMBL28142863 0.79 PTAFR (0.61) OPRK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL7873579 0.78 OPRK1 (0.48) OPRK1NR1I2ADORA3OPRM1TP53
SCHEMBL11804705 0.78 TP53 (0.52) OPRK1TP53LMNAGABRA1GABRG2
Quazepam SCHEMBL3177949 0.77 OPRK1 (0.45) OPRK1NR1I2ADORA3OPRM1TP53
SCHEMBL5379874 0.77 OPRK1 (0.77) OPRK1NR1I2ADORA3OPRM1TP53
SCHEMBL13531318 0.76 OPRK1 (0.62) OPRK1NR1I2ADORA3OPRM1TP53
Quazepam SCHEMBL1181404 0.76 OPRK1 (0.66) OPRK1NR1I2ADORA3OPRM1TP53

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
JP-3169816-A None JP disclosed
JP-H03169816-A ORAL ADMINISTRATION OF TRIFLUOROBENZODIAZEPINES ELLINWOOD JR EVERETT H 1991-07-23 JP disclosed