SCHEMBL6201316

SCHEMBL6201316

Cn1ncc(Br)c1-c1cccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 1.00
HTR2C P28335 13/20 0.60
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
CASP3 P42574 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
KDR P35968 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL6196807 0.89 HTR2A (0.80) HTR2AHTR2CNPC1RAB9AMAPT
SCHEMBL6198605 0.87 HTR2A (0.76) HTR2AHTR2CMAPTHTTKDR
SCHEMBL5946688 0.86 HTR2A (0.76) HTR2AHTR2CKDR
SCHEMBL6197991 0.86 HTR2A (0.75) HTR2AHTR2CNPC1RAB9AMAPT
SCHEMBL15248521 0.84 HTR2A (0.72) HTR2AHTR2C
SCHEMBL6201549 0.84 HTR2A (0.72) HTR2AHTR2C
SCHEMBL6198959 0.83 HTR2A (0.77) HTR2AHTR2CNPC1RAB9AMAPT
SCHEMBL6201624 0.83 HTR2A (1.00) HTR2AHTR2C
SCHEMBL5057434 0.82 HTR2A (0.81) HTR2AHTR2C
SCHEMBL6199703 0.82 HTR2A (0.78) 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