SCHEMBL3950007

SCHEMBL3950007

COc1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3F)CC2)cc1-c1c(Cl)cnn1C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.62
HTR2C P28335 13/20 0.62
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 2/20 0.53
TSHR P16473 2/20 0.53
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL3950082 0.94 HTR2A (0.66) HTR2AHTR2CL3MBTL1MAPTTSHR
SCHEMBL3950943 0.92 HTR2A (0.59) HTR2AHTR2CL3MBTL1MAPTTSHR
SCHEMBL4541544 0.89 HTR2A (0.67) HTR2AHTR2CL3MBTL1MAPTTSHR
SCHEMBL3950111 0.88 ALDH1A1 (0.60) HTR2AHTR2CL3MBTL1MAPTTSHR
SCHEMBL4032615 0.88 ALDH1A1 (0.65) HTR2AHTR2CL3MBTL1MAPTTSHR
SCHEMBL3947834 0.87 MAPT (0.71) HTR2AHTR2CL3MBTL1MAPTTSHR
SCHEMBL3946754 0.86 ALDH1A1 (0.56) HTR2AHTR2CL3MBTL1MAPTTSHR
SCHEMBL3945404 0.85 HTR2A (0.58) HTR2AHTR2CL3MBTL1MAPTTSHR
SCHEMBL3945494 0.85 MAPT (0.61) HTR2AHTR2CL3MBTL1MAPTTSHR
SCHEMBL14385110 0.85 HTR2A (0.61) HTR2AHTR2CL3MBTL1MAPTTSHR

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 5 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
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