SCHEMBL11715519

SCHEMBL11715519

O=CN1CCN=C(c2ccccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRA5 P31644 4/20 0.50
GABRA2 P47869 4/20 0.50
OPRK1 P41145 3/20 0.50
PDE4D Q08499 3/20 0.50
GABRG2 P18507 3/20 0.50
GABRB3 P28472 3/20 0.50
GABRA3 P34903 3/20 0.50
ADRA1A P35348 2/20 0.50
HTR2A P28223 1/20 0.50
NR1I2 O75469 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
HTR2C P28335 1/20 0.50
PTGS2 P35354 1/20 0.50
CHRNA4 P43681 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TP53 P04637 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMARCA2 P51531 1/20 0.47
GABRB2 P47870 3/20 0.46

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
SCHEMBL11713752 0.89 OPRK1 (0.50) OPRK1PDE4DADRA1ANR1I2ADORA3
SCHEMBL11716883 0.87 OPRK1 (0.67) GABRA1GABRA5GABRA2OPRK1PDE4D
SCHEMBL11680057 0.80 OPRK1 (0.76) GABRA1GABRA5GABRA2OPRK1PDE4D
SCHEMBL11468031 0.75 OPRK1 (0.48) GABRA1GABRA5GABRA2OPRK1PDE4D
SCHEMBL7873579 0.74 OPRK1 (0.48) GABRA1GABRA5GABRA2OPRK1PDE4D
SCHEMBL11681691 0.74 OPRK1 (0.47) GABRA1GABRA5GABRA2OPRK1PDE4D
SCHEMBL11460072 0.73 SMARCA2 (0.52) GABRA1GABRA5GABRA2OPRK1PDE4D
SCHEMBL11458720 0.73 SMARCA2 (0.52) GABRA1GABRA5GABRA2OPRK1PDE4D
SCHEMBL11480381 0.73 SMARCA2 (0.52) GABRA1GABRA5GABRA2OPRK1PDE4D
SCHEMBL11614249 0.73 GABRA1 (0.49) GABRA1GABRA5GABRA2OPRK1PDE4D

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-4002611-A Preparation of benzodiazepines SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-01-11 US disclosed