SCHEMBL8621841

SCHEMBL8621841

CCCC(=O)N1CCc2cc(Br)c(OCC3CCCN(C)C3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
BRD4 O60885 1/20 0.40
EP300 Q09472 1/20 0.40
CREBBP Q92793 1/20 0.40
TRIM24 O15164 1/20 0.39
KDM1A O60341 1/20 0.38
KDM1B Q8NB78 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
EGFR P00533 2/20 0.37
FGFR1 P11362 2/20 0.37
FLT1 P17948 2/20 0.37
FLT4 P35916 2/20 0.37
KDR P35968 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
FGFR4 P22455 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL8613836 0.90 KDM1A (0.40) TRIM24KDM1AKDM1BEGFRFGFR1
SCHEMBL8619975 0.85 KDM1A (0.38) TRIM24KDM1AKDM1BNPC1MAPT
SCHEMBL8619530 0.80 TRIM24 (0.41) TRIM24KDM1AKDM1BNPC1MAPT
SCHEMBL8620775 0.73 HTR2C (0.45) HRH3
SCHEMBL8617073 0.72 TSHR (0.45) TRIM24KDM1AKDM1BNPC1MAPT
SCHEMBL18164521 0.71 HTR2A (0.43) TRIM24MAPT
SCHEMBL8613696 0.71 HRH3 (0.44) HRH3BRD4EP300CREBBPIRAK4
SCHEMBL8120191 0.65 TRIM24 (0.50) HRH3TRIM24KDM1AKDM1BNPC1
SCHEMBL23063855 0.64 CYP11B1 (0.50) MAPTSMN1; SMN2
SCHEMBL25455118 0.64 LMNA (0.58) TRIM24MAPTSMN1; 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