SCHEMBL6201617

SCHEMBL6201617

Cc1ccc(OC(=O)Nc2cccc(-c3c(Br)cnn3C)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.62
HTR2C P28335 11/20 0.45
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
BRD4 O60885 1/20 0.41
CYP1A2 P05177 1/20 0.41
PORCN Q9H237 1/20 0.40

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
SCHEMBL6198147 0.93 HTR2A (0.63) HTR2AHTR2CCYP1A2
SCHEMBL5063284 0.92 HTR2A (0.62) HTR2AHTR2CALDH1A1
SCHEMBL6200081 0.91 HTR2A (0.63) HTR2AHTR2C
SCHEMBL6194839 0.87 HTR2A (0.57) HTR2AHTR2C
SCHEMBL6199926 0.84 HTR2A (0.63) HTR2AHTR2CALDH1A1MAPK1
SCHEMBL6248190 0.83 HTR2A (0.62) HTR2AHTR2C
SCHEMBL6200102 0.82 HTR2A (0.59) HTR2AHTR2C
SCHEMBL6201248 0.81 HTR2A (0.63) HTR2AHTR2C
SCHEMBL6200979 0.81 HTR2A (0.63) HTR2AHTR2C
SCHEMBL6197004 0.81 HTR2A (0.62) 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