SCHEMBL20071111

SCHEMBL20071111

Cc1cccnc1OC1CNC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.45
HTR1A P08908 4/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 3/20 0.43
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
CHRM1 P11229 1/20 0.41
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL30037140 0.87 CHRNB2 (0.52) SSTR4HTR1ASLC6A2SLC6A4CHRM1
SCHEMBL23702833 0.87 CHRNB2 (0.52) SSTR4HTR1ASLC6A2SLC6A4CHRM1
SCHEMBL23702832 0.87 CHRNB2 (0.52) SSTR4HTR1ASLC6A2SLC6A4CHRM1
SCHEMBL4111572 0.83 HTR1A (0.55) SSTR4HTR1ASLC6A2SLC6A4PDE10A
Hydrochloric Acid SCHEMBL21752568 0.82 HTR1A (0.53) SSTR4HTR1ASLC6A2SLC6A4PDE10A
SCHEMBL7709245 0.79 SLC6A2 (0.45) HTR1ASLC6A2SLC6A4CHRM1
SCHEMBL21652007 0.78 SSTR4 (0.44) SSTR4HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL15134957 0.78 SLC6A2 (0.44) HTR1ASLC6A2SLC6A4CHRM1
SCHEMBL21752556 0.78 SLC6A4 (0.49) HTR1ASLC6A2SLC6A4PDE10A
SCHEMBL15468357 0.77 PDE10A (0.57) PDE10A

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-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed