SCHEMBL3948069

SCHEMBL3948069

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.60
TSHR P16473 4/20 0.59
MAPT P10636 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
HTR2C P28335 10/20 0.57
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49

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 0.92 DRD4 (0.58) HTR2ATSHRMAPTL3MBTL1HTR2C
SCHEMBL4038432 0.91 DRD4 (0.57) HTR2ATSHRMAPTL3MBTL1HTR2C
SCHEMBL3947834 0.91 MAPT (0.71) HTR2ATSHRMAPTL3MBTL1HTR2C
SCHEMBL3945404 0.91 HTR2A (0.58) HTR2ATSHRMAPTL3MBTL1HTR2C
SCHEMBL4214713 0.91 HTR2A (0.60) HTR2ATSHRMAPTL3MBTL1HTR2C
SCHEMBL4042229 0.91 HTR2A (0.66) HTR2ATSHRMAPTL3MBTL1HTR2C
SCHEMBL4541544 0.90 HTR2A (0.67) HTR2ATSHRMAPTL3MBTL1HTR2C
SCHEMBL3945494 0.88 MAPT (0.61) HTR2ATSHRMAPTL3MBTL1HTR2C
SCHEMBL3950082 0.87 HTR2A (0.66) HTR2ATSHRMAPTL3MBTL1HTR2C
SCHEMBL3947906 0.87 HTR2A (0.58) HTR2ATSHRMAPTL3MBTL1HTR2C

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-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