SCHEMBL6201425

SCHEMBL6201425

CN(C(=O)Nc1cccc(-c2c(Br)cnn2C)c1)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.72
HTR2C P28335 15/20 0.50
PNPLA2 Q96AD5 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL6196368 0.90 HTR2A (0.58) HTR2AHTR2CPNPLA2HDAC6
SCHEMBL6200665 0.90 HTR2A (0.57) HTR2AHTR2CPNPLA2HDAC6ALDH1A1
SCHEMBL6197991 0.85 HTR2A (0.75) HTR2AHTR2CMAPT
SCHEMBL6201624 0.84 HTR2A (1.00) HTR2AHTR2CCNR1
SCHEMBL6201055 0.83 HTR2A (0.78) HTR2AHTR2CALDH1A1MAPTHPGD
SCHEMBL6197615 0.82 HTR2A (0.48) HTR2AHTR2CPNPLA2HDAC6ALDH1A1
SCHEMBL6197652 0.81 HTR2A (0.68) HTR2AHTR2C
SCHEMBL6200786 0.80 HTR2A (0.77) HTR2AHTR2CMAPTCNR1
SCHEMBL6197646 0.80 HTR2A (0.80) HTR2AHTR2CCNR1
SCHEMBL6670281 0.79 HTR2A (0.71) HTR2AHTR2CALDH1A1MAPT

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