SCHEMBL3945404

SCHEMBL3945404

COc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1-c1c(Cl)cnn1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.58
HTR2C P28335 7/20 0.58
MAPT P10636 4/20 0.58
TSHR P16473 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
HTT P42858 3/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 2/20 0.50
ATM Q13315 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 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
SCHEMBL3945494 0.93 MAPT (0.61) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL4206004 0.93 DRD4 (0.58) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL3947906 0.92 HTR2A (0.58) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL4204643 0.92 TSHR (0.60) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL4038432 0.92 DRD4 (0.57) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL3947834 0.92 MAPT (0.71) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL3950111 0.91 ALDH1A1 (0.60) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL3948069 0.91 HTR2A (0.60) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL4032615 0.91 ALDH1A1 (0.65) HTR2AHTR2CMAPTTSHRL3MBTL1
SCHEMBL4148583 0.90 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