SCHEMBL4765835

SCHEMBL4765835

COc1ncc(NC(=O)Nc2cccc(Cl)c2)cc1-c1ccnn1C

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.59
HTR2C P28335 17/20 0.59
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL4660666 0.89 HTR2A (0.72) HTR2AHTR2CKMT2A
SCHEMBL4661931 0.88 HTR2A (0.59) HTR2AHTR2CNPC1RAB9A
SCHEMBL14397337 0.86 HTR2A (0.52) HTR2AHTR2C
SCHEMBL4661836 0.83 HTR2A (0.58) HTR2AHTR2C
SCHEMBL4792703 0.83 HTR2A (0.59) HTR2AHTR2C
SCHEMBL4827321 0.82 HTR2A (0.76) HTR2AHTR2C
SCHEMBL4660576 0.79 HTR2A (0.60) HTR2AHTR2CNPC1RAB9A
SCHEMBL29574208 0.76 HTR2A (0.73) HTR2AHTR2C
SCHEMBL5057446 0.76 HTR2A (0.73) HTR2AHTR2C
SCHEMBL1165808 0.75 HTR2A (1.00) HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004627-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP claimed
WO-2007120600-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO claimed
EP-2004627-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120600-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed