SCHEMBL4659253

SCHEMBL4659253

COc1ncc(NC(=O)c2ccc(Cl)cc2)cc1-c1c(Cl)cnn1C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.58
HTR2C P28335 10/20 0.58
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTK2 Q05397 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4660702 0.93 HTR2A (0.52) HTR2AHTR2CKCNQ3KCNQ2KCNE1
SCHEMBL4838138 0.91 HTR2A (0.55) HTR2AHTR2CKCNQ3KCNQ2KCNE1
SCHEMBL4660554 0.90 HTR2A (0.59) HTR2AHTR2C
SCHEMBL4660732 0.89 HTR2A (0.51) HTR2AHTR2CRAB9ASMN1; SMN2
SCHEMBL4660710 0.88 HTR2A (0.74) HTR2AHTR2C
SCHEMBL4792402 0.87 HTR2A (0.68) HTR2AHTR2CKCNQ3KCNQ2KCNE1
SCHEMBL4659225 0.85 HTR2A (0.55) HTR2AHTR2CRAB9ANPC1SMN1; SMN2
SCHEMBL4763584 0.85 HTR2A (0.59) HTR2AHTR2CKCNQ3KCNQ2KCNE1
SCHEMBL4659250 0.84 HTR2A (0.66) HTR2AHTR2CKCNQ3KCNQ2KCNE1
SCHEMBL4791565 0.83 HTR2A (0.58) HTR2AHTR2CRAB9ANPC1SMN1; SMN2

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