SCHEMBL3947397

SCHEMBL3947397

COc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1-c1c(Br)cnn1C

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.63
HTR2C P28335 11/20 0.63
ALDH1A1 P00352 5/20 0.58
TSHR P16473 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL3950943 0.90 HTR2A (0.59) HTR2AHTR2CALDH1A1TSHRSMN1; SMN2
SCHEMBL4148583 0.88 HTR2A (0.58) HTR2AHTR2CTSHRHTT
SCHEMBL3949986 0.87 HTR2A (0.67) HTR2AHTR2CALDH1A1TSHRKMT2A
SCHEMBL4042229 0.86 HTR2A (0.66) HTR2AHTR2CALDH1A1TSHRSMN1; SMN2
SCHEMBL3950888 0.86 HTR2A (0.64) HTR2AHTR2C
SCHEMBL3948224 0.84 HTR2A (0.64) HTR2AHTR2C
SCHEMBL3948352 0.84 HTR2A (0.67) HTR2AHTR2CTSHR
SCHEMBL3950111 0.83 ALDH1A1 (0.60) HTR2AHTR2CALDH1A1TSHRSMN1; SMN2
SCHEMBL3953618 0.83 HTR2A (0.68) HTR2AHTR2CKMT2A
SCHEMBL4032615 0.83 ALDH1A1 (0.65) HTR2AHTR2CALDH1A1TSHRSMN1; SMN2

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 5 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
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