SCHEMBL4660702

SCHEMBL4660702

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.52
HTR2C P28335 8/20 0.52
PTK2 Q05397 1/20 0.51
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
BACE1 P56817 1/20 0.46
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 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
SCHEMBL4659253 0.93 HTR2A (0.58) HTR2AHTR2CPTK2KCNQ3KCNQ2
SCHEMBL4838138 0.92 HTR2A (0.55) HTR2AHTR2CKCNQ3KCNQ2KCNE1
SCHEMBL4661872 0.89 HTR2A (0.63) HTR2AHTR2C
SCHEMBL4660732 0.88 HTR2A (0.51) HTR2AHTR2CKDM4ESMN1; SMN2
SCHEMBL4763584 0.88 HTR2A (0.59) HTR2AHTR2CKCNQ3KCNQ2KCNE1
SCHEMBL4792402 0.88 HTR2A (0.68) HTR2AHTR2CKCNQ3KCNQ2KCNE1
SCHEMBL4659250 0.85 HTR2A (0.66) HTR2AHTR2CPTK2KCNQ3KCNQ2
SCHEMBL4660580 0.83 HTR2A (0.61) HTR2AHTR2C
SCHEMBL4660554 0.83 HTR2A (0.59) HTR2AHTR2C
SCHEMBL4660639 0.82 HTR2A (0.66) 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 5 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
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