SCHEMBL6198546

SCHEMBL6198546

Cn1ncc(Br)c1-c1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.73
HTR2C P28335 8/20 0.69
KDR P35968 2/20 0.55
BRAF P15056 5/20 0.55
RAF1 P04049 2/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
TRPV1 Q8NER1 1/20 0.51
EPHB4 P54760 1/20 0.51

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
SCHEMBL6201549 0.91 HTR2A (0.72) HTR2AHTR2C
SCHEMBL6199397 0.89 HTR2A (0.71) HTR2AHTR2CKDRBRAF
SCHEMBL6200025 0.87 HTR2A (0.69) HTR2AHTR2C
SCHEMBL6198081 0.85 HTR2A (0.80) HTR2AHTR2C
SCHEMBL6201624 0.84 HTR2A (1.00) HTR2AHTR2C
SCHEMBL15248561 0.84 HTR2A (0.78) HTR2AHTR2CKDR
SCHEMBL6196617 0.84 HTR2A (0.60) HTR2AHTR2CKDRBRAFRAF1
SCHEMBL6198536 0.84 HTR2A (0.66) HTR2AHTR2CKDRCA1CA2
SCHEMBL6668460 0.83 HTR2A (0.74) HTR2AHTR2C
SCHEMBL6196811 0.83 HTR2A (0.64) 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