SCHEMBL8613255

SCHEMBL8613255

CC(=O)N1CCc2cc(Br)c(OCCN(C)C)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR7 P34969 1/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
TRIM24 O15164 1/20 0.37
RECQL P46063 1/20 0.37
ACLY P53396 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37

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
SCHEMBL8619661 0.86 NOTUM (0.47) NOTUMHTR1DHTR1BHTR2AKDM4E
SCHEMBL8616607 0.86 NOTUM (0.42) NOTUMHTR1DHTR1BHTR2AKDM4E
SCHEMBL8616507 0.86 NOTUM (0.42) NOTUMHTR1DHTR1BHTR2AKDM4E
SCHEMBL8612515 0.83 HTR2A (0.41) NOTUMHTR1DHTR1BHTR2AKDM4E
SCHEMBL8614407 0.78 ROCK1 (0.54) NOTUMKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL14590673 0.78 NOTUM (0.64) NOTUMKDM4EALDH1A1HPGDMAPT
SCHEMBL18164521 0.75 HTR2A (0.43) NOTUMHTR2AKDM4EALDH1A1HPGD
SCHEMBL7821334 0.74 HTR2A (0.46) NOTUMHTR2AMAPTTP53LMNA
SCHEMBL8144021 0.74 NOTUM (0.39) NOTUMKDM4EALDH1A1HPGDMAPT
SCHEMBL6101817 0.74 NOTUM (0.57) NOTUMHTR2AKDM4EALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed