SCHEMBL4204643

SCHEMBL4204643

COc1ccc(N2CCN(CC(=O)Nc3ccc(OC)c(-c4c(Cl)cnn4C)c3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
MAPT P10636 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HTR2A P28223 6/20 0.58
HTR2C P28335 5/20 0.58
GFER P55789 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
DRD4 P21917 1/20 0.55
REV1 Q9UBZ9 1/20 0.55
LMNA P02545 2/20 0.54
USP2 O75604 1/20 0.54
GAA P10253 1/20 0.52

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 0.94 MAPT (0.61) TSHRMAPTL3MBTL1HTR2AHTR2C
SCHEMBL3947834 0.92 MAPT (0.71) TSHRMAPTL3MBTL1HTR2AHTR2C
SCHEMBL3945404 0.92 HTR2A (0.58) TSHRMAPTL3MBTL1HTR2AHTR2C
SCHEMBL4206004 0.92 DRD4 (0.58) TSHRMAPTL3MBTL1HTR2AHTR2C
SCHEMBL3947906 0.92 HTR2A (0.58) TSHRMAPTL3MBTL1HTR2AHTR2C
SCHEMBL4541544 0.89 HTR2A (0.67) TSHRMAPTL3MBTL1HTR2AHTR2C
SCHEMBL4038432 0.88 DRD4 (0.57) TSHRMAPTL3MBTL1HTR2AHTR2C
SCHEMBL3950111 0.87 ALDH1A1 (0.60) TSHRMAPTL3MBTL1HTR2AHTR2C
SCHEMBL3948069 0.87 HTR2A (0.60) TSHRMAPTL3MBTL1HTR2AHTR2C
SCHEMBL4032615 0.86 ALDH1A1 (0.65) TSHRMAPTL3MBTL1HTR2AHTR2C

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 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