SCHEMBL4038432

SCHEMBL4038432

COc1ccc(NC(=O)CN2CCN(c3cccc(C)c3)CC2)cc1-c1c(Cl)cnn1C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.57
HTR2A P28223 9/20 0.55
HTR2C P28335 7/20 0.55
MAPT P10636 4/20 0.53
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
DRD2 P14416 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL4206004 0.93 DRD4 (0.58) DRD4HTR2AHTR2CMAPTTSHR
SCHEMBL3945404 0.92 HTR2A (0.58) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL3945494 0.92 MAPT (0.61) DRD4HTR2AHTR2CMAPTTSHR
SCHEMBL3948069 0.91 HTR2A (0.60) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL4214713 0.90 HTR2A (0.60) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL3947906 0.88 HTR2A (0.58) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL4204643 0.88 TSHR (0.60) DRD4HTR2AHTR2CMAPTTSHR
SCHEMBL4541544 0.87 HTR2A (0.67) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL3947834 0.87 MAPT (0.71) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL3950111 0.87 ALDH1A1 (0.60) DRD4HTR2AHTR2CMAPTTSHR

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 3 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
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