SCHEMBL9048951

SCHEMBL9048951

Clc1ccc2c(c1)C=CC=NN2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
NOS1 P29475 2/20 0.32
HTR5A P47898 3/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
DRD4 P21917 2/20 0.31
HTR1D P28221 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR7 P34969 2/20 0.31
HTR2B P41595 2/20 0.31
HTR3A P46098 2/20 0.31
TGM2 P21980 1/20 0.31
CES1 P23141 1/20 0.31
AHR P35869 1/20 0.30

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
SCHEMBL10620819 0.79 DYRK1A (0.35) DYRK1A
Hydrochloric Acid SCHEMBL8523808 0.78 DYRK1A (0.34) DYRK1A
SCHEMBL3851653 0.78 KDM4E (0.34) DRD4
Benzodiazepine SCHEMBL7160172 0.72 GAA (0.44)
Benzodiazepine SCHEMBL8137 0.72 GAA (0.44)
Benzodiazepine SCHEMBL3414245 0.72 GAA (0.40)
Benzodiazepine SCHEMBL4700331 0.71 GAA (0.43)
Benzodiazepine SCHEMBL6618830 0.71 GAA (0.43)
Benzodiazepine SCHEMBL936208 0.71 GAA (0.43)
Benzodiazepine SCHEMBL11484022 0.71 GAA (0.43)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0264797-B1 Benzodiazepines assay, tracers, immunogens and antibodies ABBOTT LAB (US) 1996-01-10 EP disclosed
EP-0264797-A2 Benzodiazepines assay, tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1988-04-27 EP disclosed
US-4060608-A TRANQUILIZERS, SEDATIVE, HYPNOSIS INDUCER DDSA PHARMACEUTICALS (EN) 1977-11-29 US disclosed