SCHEMBL6198536

SCHEMBL6198536

Cn1ncc(Br)c1-c1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.66
HTR2C P28335 13/20 0.57
KDR P35968 2/20 0.50
TRPV1 Q8NER1 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
NTRK1 P04629 1/20 0.46

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
SCHEMBL6198546 0.84 HTR2A (0.73) HTR2AHTR2CKDRTRPV1CA1
SCHEMBL6196811 0.82 HTR2A (0.64) HTR2AHTR2CNTRK1
SCHEMBL6201549 0.81 HTR2A (0.72) HTR2AHTR2C
SCHEMBL6198081 0.81 HTR2A (0.80) HTR2AHTR2C
SCHEMBL6194881 0.80 HTR2A (0.77) HTR2AHTR2C
SCHEMBL6199415 0.80 HTR2A (0.64) HTR2AHTR2CKDR
SCHEMBL6198959 0.80 HTR2A (0.77) HTR2AHTR2C
SCHEMBL6201624 0.80 HTR2A (1.00) HTR2AHTR2C
SCHEMBL6196466 0.80 HTR2A (0.69) HTR2AHTR2C
SCHEMBL6199397 0.79 HTR2A (0.71) HTR2AHTR2CKDR

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