SCHEMBL8613836

SCHEMBL8613836

CCCC(=O)N1CCc2cc(Br)c(OCC3CCN(C)CC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
KDM1B Q8NB78 2/20 0.40
TRIM24 O15164 1/20 0.40
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PPARG P37231 1/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
PTPN11 Q06124 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
EGFR P00533 2/20 0.35
KDR P35968 2/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35

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
SCHEMBL8621841 0.90 HRH3 (0.44) KDM1AKDM1BTRIM24NPC1MAPT
SCHEMBL8619530 0.85 TRIM24 (0.41) KDM1AKDM1BTRIM24NPC1MAPT
SCHEMBL8619975 0.83 KDM1A (0.38) KDM1AKDM1BTRIM24NPC1MAPT
SCHEMBL18164521 0.77 HTR2A (0.43) TRIM24MAPTHTR2AHTR2CNOTUM
SCHEMBL8617073 0.75 TSHR (0.45) KDM1AKDM1BTRIM24NPC1MAPT
SCHEMBL8618277 0.71 HTR1A (0.47) HTR2AHTR2C
SCHEMBL8120191 0.70 TRIM24 (0.50) KDM1AKDM1BTRIM24NPC1MAPT
SCHEMBL8617695 0.70 NOTUM (0.43) MAPTSMN1; SMN2EGFRNOTUMALDH1A1
SCHEMBL8615064 0.69 ALDH1A1 (0.37) MAPTHTTHTR2AHTR2CEGFR
SCHEMBL23063855 0.67 CYP11B1 (0.50) MAPTSMN1; SMN2TSHRHTR2AHTR2C

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