SCHEMBL6198210

SCHEMBL6198210

COc1ccc(CN(C=O)Nc2cccc(-c3c(Br)cnn3C)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.44
HTR2C P28335 16/20 0.44
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6199455 0.91 HTR2A (0.43) HTR2AHTR2CHTTSMN1; SMN2
SCHEMBL6202416 0.85 HTR2A (0.46) HTR2AHTR2CKMT2ASMN1; SMN2
SCHEMBL6199782 0.82 HTR2A (0.46) HTR2AHTR2CALDH1A1MAPTNPSR1
SCHEMBL2961042 0.82 L3MBTL1 (0.44) MEN1ALDH1A1LMNAMAPTTSHR
SCHEMBL5946838 0.77 HTR2A (0.54) HTR2AHTR2C
SCHEMBL6588992 0.76 SMN1; SMN2 (0.36) MEN1ALDH1A1LMNAMAPTTSHR
SCHEMBL6198696 0.74 HTR2A (0.49) HTR2AHTR2CMEN1MAPTKMT2A
SCHEMBL6196068 0.74 HTR2A (0.46) HTR2AHTR2CHTT
SCHEMBL6197034 0.73 HTR2A (0.52) HTR2AHTR2C
SCHEMBL2958211 0.73 L3MBTL1 (0.44) ALDH1A1LMNAMAPTHTTSMN1; SMN2

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 4 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
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 disclosed
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 disclosed