SCHEMBL4042229

SCHEMBL4042229

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

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.66
HTR2C P28335 17/20 0.66
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL3949986 0.91 HTR2A (0.67) HTR2AHTR2CTSHRMAPTL3MBTL1
SCHEMBL4148583 0.91 HTR2A (0.58) HTR2AHTR2CTSHRMAPTL3MBTL1
SCHEMBL3948069 0.91 HTR2A (0.60) HTR2AHTR2CTSHRSMN1; SMN2MAPT
SCHEMBL3947397 0.86 HTR2A (0.63) HTR2AHTR2CTSHRSMN1; SMN2ALDH1A1
SCHEMBL3948352 0.86 HTR2A (0.67) HTR2AHTR2CTSHRMAPTL3MBTL1
SCHEMBL3950888 0.86 HTR2A (0.64) HTR2AHTR2C
SCHEMBL14384989 0.85 HTR2A (0.55) HTR2AHTR2CTSHRSMN1; SMN2MAPT
SCHEMBL3953618 0.84 HTR2A (0.68) HTR2AHTR2C
SCHEMBL3948224 0.84 HTR2A (0.64) HTR2AHTR2C
SCHEMBL4206004 0.82 DRD4 (0.58) HTR2AHTR2CTSHRMAPTL3MBTL1

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 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