SCHEMBL3948352

SCHEMBL3948352

COc1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1-c1c(Br)cnn1C

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.67
HTR2C P28335 18/20 0.67
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
FPR2 P25090 1/20 0.55

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
SCHEMBL3949986 0.92 HTR2A (0.67) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL4148583 0.92 HTR2A (0.58) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL3950888 0.88 HTR2A (0.64) HTR2AHTR2C
SCHEMBL3945494 0.86 MAPT (0.61) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL4042229 0.86 HTR2A (0.66) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL3948224 0.86 HTR2A (0.64) HTR2AHTR2C
SCHEMBL4204643 0.86 TSHR (0.60) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL3947834 0.85 MAPT (0.71) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL3945404 0.85 HTR2A (0.58) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL3947906 0.84 HTR2A (0.58) HTR2AHTR2CMAPTTSHRL3MBTL1

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-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP claimed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
EP-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP disclosed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed