SCHEMBL3945494

SCHEMBL3945494

COc1ccc(NC(=O)CN2CCN(c3ccc(C)cc3)CC2)cc1-c1c(Cl)cnn1C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
TSHR P16473 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HTR2A P28223 9/20 0.58
HTR2C P28335 8/20 0.58
GFER P55789 1/20 0.56
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
DRD4 P21917 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4204643 0.94 TSHR (0.60) MAPTTSHRL3MBTL1HTR2AHTR2C
SCHEMBL3947834 0.93 MAPT (0.71) MAPTTSHRL3MBTL1HTR2AHTR2C
SCHEMBL3945404 0.93 HTR2A (0.58) MAPTTSHRL3MBTL1HTR2AHTR2C
SCHEMBL3947906 0.92 HTR2A (0.58) MAPTTSHRL3MBTL1HTR2AHTR2C
SCHEMBL4038432 0.92 DRD4 (0.57) MAPTTSHRL3MBTL1HTR2AHTR2C
SCHEMBL4541544 0.90 HTR2A (0.67) MAPTTSHRL3MBTL1HTR2AHTR2C
SCHEMBL4206004 0.89 DRD4 (0.58) MAPTTSHRL3MBTL1HTR2AHTR2C
SCHEMBL3950111 0.88 ALDH1A1 (0.60) MAPTTSHRL3MBTL1HTR2AHTR2C
SCHEMBL3948069 0.88 HTR2A (0.60) MAPTTSHRL3MBTL1HTR2AHTR2C
SCHEMBL3946754 0.87 ALDH1A1 (0.56) MAPTTSHRL3MBTL1HTR2AHTR2C

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