SCHEMBL6201224

SCHEMBL6201224

Cn1ncc(Br)c1-c1cccc(NN(C=O)c2ccccc2F)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.48
HTR2C P28335 10/20 0.39
AKT1 P31749 6/20 0.33
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6199754 0.89 HTR2A (0.48) HTR2AHTR2C
SCHEMBL6198379 0.88 HTR2A (0.53) HTR2AHTR2CAKT1
SCHEMBL6199858 0.85 HTR2A (0.46) HTR2AHTR2C
SCHEMBL6196066 0.85 HTR2A (0.54) HTR2AHTR2CHTT
SCHEMBL6196599 0.84 HTR2A (0.48) HTR2AHTR2CAKT1GAASMN1; SMN2
SCHEMBL6199288 0.84 HTR2A (0.45) HTR2AHTR2CGAASMN1; SMN2
SCHEMBL6198174 0.80 HTR2A (0.48) HTR2AHTR2CAKT1SMN1; SMN2
SCHEMBL6198541 0.80 HTR2A (0.48) HTR2AHTR2C
SCHEMBL6198264 0.80 HTR2A (0.55) HTR2AHTR2CAKT1GAA
SCHEMBL6199008 0.80 HTR2A (0.50) HTR2AHTR2CSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509505-A2 SMALL MOLECULE MODULATORS OF THE 5−HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2005-03-02 EP claimed
WO-2003062206-A2 SMALL MOLECULE MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2003-07-31 WO claimed