SCHEMBL8025971

SCHEMBL8025971

CC1c2cccc(C#N)c2CCN1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
NOTUM Q6P988 1/20 0.43
HTR1A P08908 3/20 0.39
HTR7 P34969 1/20 0.39
MAOA P21397 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
AR P10275 1/20 0.36
S1PR1 P21453 1/20 0.35
PRCP P42785 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL8022070 0.78 MAOA (0.41) DRD2DRD1NOTUMHTR1AMAOA
SCHEMBL7978723 0.77 GID4 (0.44) DRD2DRD1DRD5HTR1AHTR7
SCHEMBL8028688 0.77 ADRA2A (0.50) DRD2DRD1DRD4DRD5NOTUM
SCHEMBL8030417 0.77 MEN1 (0.44) DRD2NOTUMHTR1AHTR7MAOA
SCHEMBL8027387 0.77 GID4 (0.44) DRD2DRD1DRD4DRD5HTR1A
SCHEMBL8027390 0.74 MAOA (0.53) DRD2DRD1DRD4DRD5HTR1A
SCHEMBL29339110 0.73 DRD2 (0.46) DRD2DRD1DRD4DRD5NOTUM
SCHEMBL8011249 0.73 NOTUM (0.44) NOTUMMAOAHTR2CHTR2BPRCP
SCHEMBL26161461 0.73 MAOA (0.51) DRD2DRD1DRD4DRD5HTR1A
SCHEMBL29339112 0.73 DRD2 (0.47) DRD2DRD1DRD4DRD5HTR1A

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
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed