SCHEMBL8617360

SCHEMBL8617360

Cc1ccsc1NC(=O)Nc1ccc(I)c(OCCN(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.43
MCHR1 Q99705 1/20 0.40
QPCT Q16769 3/20 0.40
RAB9A P51151 1/20 0.39
KDR P35968 5/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
MAPT P10636 2/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
HTR2A P28223 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 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
SCHEMBL8590953 0.82 MAPT (0.50) HRH3MCHR1QPCTRAB9AKDR
SCHEMBL8590964 0.82 HRH3 (0.51) HRH3RAB9AKDRMAPTKDM4E
SCHEMBL8590131 0.81 MCHR1 (0.53) HRH3MCHR1KDRKITFLT3
SCHEMBL8589629 0.79 HRH3 (0.50) HRH3MCHR1QPCTRAB9AKDR
SCHEMBL8589733 0.79 HRH3 (0.70) HRH3MCHR1QPCTRAB9AKDR
SCHEMBL8617490 0.78 HRH3 (0.49) HRH3MCHR1QPCTRAB9AKDR
SCHEMBL6541884 0.78 MCHR1 (0.48) HRH3MCHR1QPCTKDRMAPT
SCHEMBL8589432 0.78 ALDH1A1 (0.51) HRH3MCHR1RAB9AKDRMAPT
SCHEMBL8589856 0.77 HTR1D (0.47) HRH3MCHR1QPCTKDRKIT
SCHEMBL8587504 0.77 HRH3 (0.53) HRH3MCHR1

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