SCHEMBL6201248

SCHEMBL6201248

CC(C)OC(=O)Nc1cccc(-c2c(Br)cnn2C)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.63
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HTR2C P28335 10/20 0.47
BTK Q06187 3/20 0.44
LPAR1 Q92633 1/20 0.44
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6199926 0.84 HTR2A (0.63) HTR2AHTR2C
SCHEMBL6197004 0.83 HTR2A (0.62) HTR2AHTR2C
SCHEMBL6670281 0.83 HTR2A (0.71) HTR2AHTR2CKDM4E
SCHEMBL6670028 0.83 HTR2A (0.71) HTR2AHTR2C
SCHEMBL6199626 0.83 HTR2A (0.59) HTR2AHTR2C
SCHEMBL6222382 0.83 HTR2A (0.52) HTR2AHPGDALOX15HTR2CLPAR1
SCHEMBL6198147 0.82 HTR2A (0.63) HTR2AHTR2C
SCHEMBL5063284 0.81 HTR2A (0.62) HTR2AHTR2C
SCHEMBL6201617 0.81 HTR2A (0.62) HTR2AHTR2C
SCHEMBL6200102 0.81 HTR2A (0.59) 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