SCHEMBL6199455

SCHEMBL6199455

COc1cc(CN(C=O)Nc2cccc(-c3c(Br)cnn3C)c2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.43
HTR2C P28335 14/20 0.42
BRAF P15056 1/20 0.35
HTT P42858 1/20 0.34
CLK1 P49759 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6198210 0.91 HTR2A (0.44) HTR2AHTR2CHTTSMN1; SMN2
SCHEMBL6199380 0.87 HTR2A (0.47) HTR2AHTR2C
SCHEMBL6199131 0.86 HTR2A (0.48) HTR2AHTR2CHTTSMN1; SMN2
SCHEMBL6202416 0.83 HTR2A (0.46) HTR2AHTR2CSMN1; SMN2
SCHEMBL2958211 0.82 L3MBTL1 (0.44) BRAFHTTCLK1SMN1; SMN2
SCHEMBL6199782 0.80 HTR2A (0.46) HTR2AHTR2C
SCHEMBL6586587 0.76 BRAF (0.35) BRAFCLK1SMN1; SMN2
SCHEMBL6198696 0.74 HTR2A (0.49) HTR2AHTR2C
SCHEMBL6196068 0.74 HTR2A (0.46) HTR2AHTR2CHTT
SCHEMBL6197034 0.73 HTR2A (0.52) 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-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