SCHEMBL6201528

SCHEMBL6201528

Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(C#N)cc2)cc(-c2ccc(F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.55
HTR2C P28335 16/20 0.55
IDO1 P14902 1/20 0.48
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43

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
SCHEMBL6197871 0.92 HTR2A (0.62) HTR2AHTR2C
SCHEMBL6198353 0.91 HTR2A (0.56) HTR2AHTR2CIDO1
SCHEMBL6199690 0.89 HTR2A (0.59) HTR2AHTR2C
SCHEMBL6198521 0.89 HTR2A (0.59) HTR2AHTR2C
SCHEMBL6197320 0.87 HTR2A (0.69) HTR2AHTR2C
SCHEMBL6200146 0.86 HTR2A (0.58) HTR2AHTR2C
SCHEMBL6201174 0.86 HTR2A (0.56) HTR2AHTR2C
SCHEMBL6201315 0.85 HTR2A (0.60) HTR2AHTR2C
SCHEMBL6197166 0.85 HTR2A (0.59) HTR2AHTR2C
SCHEMBL6200476 0.85 HTR2A (0.63) 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