SCHEMBL5243451

SCHEMBL5243451

Cn1nccc1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCCC1CCNC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.68
HTR2C P28335 17/20 0.68
KCNH2 Q12809 1/20 0.52

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
SCHEMBL1165708 0.89 HTR2A (0.68) HTR2AHTR2CKCNH2
SCHEMBL5245348 0.86 HTR2A (0.74) HTR2AHTR2CKCNH2
SCHEMBL1859419 0.85 HTR2A (0.63) HTR2AHTR2C
SCHEMBL1859422 0.85 HTR2A (0.63) HTR2AHTR2C
SCHEMBL5243677 0.84 HTR2A (0.73) HTR2AHTR2CKCNH2
SCHEMBL1165512 0.84 HTR2A (0.77) HTR2AHTR2CKCNH2
SCHEMBL5244501 0.84 HTR2A (0.72) HTR2AHTR2CKCNH2
SCHEMBL5243483 0.84 HTR2A (0.66) HTR2AHTR2CKCNH2
SCHEMBL1166628 0.83 HTR2A (0.64) HTR2AHTR2CKCNH2
SCHEMBL1166923 0.82 HTR2A (0.91) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833799-A2 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT-2a SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2007-09-19 EP disclosed
WO-2006055734-A2 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-05-26 WO disclosed