SCHEMBL6198541

SCHEMBL6198541

Cn1ncc(Br)c1-c1cccc(NN(C=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.48
HTR2C P28335 12/20 0.42
NTRK1 P04629 1/20 0.38
FLT3 P36888 1/20 0.38
KIF11 P52732 1/20 0.35
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
GGPS1 O95749 1/20 0.32
BRAF P15056 1/20 0.31

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
SCHEMBL6196599 0.89 HTR2A (0.48) HTR2AHTR2C
SCHEMBL6196438 0.88 HTR2A (0.47) HTR2AHTR2C
SCHEMBL6199008 0.86 HTR2A (0.50) HTR2AHTR2C
SCHEMBL6198696 0.85 HTR2A (0.49) HTR2AHTR2C
SCHEMBL6195735 0.84 HTR2A (0.46) HTR2AHTR2C
SCHEMBL6198174 0.83 HTR2A (0.48) HTR2AHTR2CKDR
SCHEMBL6198264 0.82 HTR2A (0.55) HTR2AHTR2C
SCHEMBL2956951 0.80 ALDH1A1 (0.46) HTR2ANTRK1FLT3KIF11BRAF
SCHEMBL6196068 0.80 HTR2A (0.46) HTR2AHTR2C
SCHEMBL6201224 0.80 HTR2A (0.48) 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