SCHEMBL3946754

SCHEMBL3946754

COc1ccc(NC(=O)CN2CCN(c3ccccc3C)CC2)cc1-c1c(Cl)cnn1C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
HTT P42858 2/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 1/20 0.56
HTR2A P28223 6/20 0.56
HTR2C P28335 5/20 0.56
TSHR P16473 4/20 0.55
GAA P10253 1/20 0.53
DRD4 P21917 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 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
SCHEMBL3950111 0.94 ALDH1A1 (0.60) ALDH1A1MAPTHTTLMNAL3MBTL1
SCHEMBL4032615 0.93 ALDH1A1 (0.65) ALDH1A1MAPTHTTLMNAL3MBTL1
SCHEMBL3950943 0.91 HTR2A (0.59) ALDH1A1MAPTHTTLMNAL3MBTL1
SCHEMBL3945634 0.90 DRD4 (0.55) ALDH1A1MAPTHTTLMNAL3MBTL1
SCHEMBL3945404 0.89 HTR2A (0.58) ALDH1A1MAPTHTTLMNAL3MBTL1
SCHEMBL3945494 0.87 MAPT (0.61) ALDH1A1MAPTLMNAL3MBTL1HTR2A
SCHEMBL3954051 0.86 ALDH1A1 (0.63) ALDH1A1MAPTLMNAL3MBTL1HTR2A
SCHEMBL3950007 0.86 HTR2A (0.62) ALDH1A1MAPTHTTLMNAL3MBTL1
SCHEMBL4038432 0.86 DRD4 (0.57) ALDH1A1MAPTHTTLMNAL3MBTL1
SCHEMBL3950082 0.85 HTR2A (0.66) ALDH1A1MAPTHTTLMNAL3MBTL1

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