SCHEMBL8589733

SCHEMBL8589733

Cc1cccc(NC(=O)Nc2ccc(I)c(OCCN(C)C)c2)c1C

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.70
RXFP1 Q9HBX9 1/20 0.43
DDX3X O00571 1/20 0.43
IDH1 O75874 1/20 0.43
MCHR1 Q99705 1/20 0.42
KDR P35968 4/20 0.42
KIT P10721 1/20 0.42
FLT3 P36888 1/20 0.42
ROCK2 O75116 1/20 0.41
LIMK1 P53667 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
TOP1 P11387 1/20 0.41
PTGS2 P35354 1/20 0.41
QPCT Q16769 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8590451 0.90 HRH3 (0.56) HRH3RXFP1KDRNPC1MAPT
SCHEMBL8589516 0.84 MEN1 (0.53) HRH3RXFP1MCHR1KDRNPC1
SCHEMBL8587717 0.84 RAB9A (0.53) HRH3RXFP1NPC1MAPTRAB9A
SCHEMBL8590131 0.83 MCHR1 (0.53) HRH3RXFP1MCHR1KDRKIT
SCHEMBL8590953 0.82 MAPT (0.50) HRH3IDH1MCHR1KDRKIT
SCHEMBL8590964 0.82 HRH3 (0.51) HRH3KDRNPC1MAPTRAB9A
SCHEMBL8589432 0.82 ALDH1A1 (0.51) HRH3MCHR1KDRNPC1MAPT
SCHEMBL8589512 0.82 ALDH1A1 (0.52) HRH3RXFP1DDX3XMCHR1NPC1
SCHEMBL8619358 0.81 MAPT (0.47) HRH3RXFP1IDH1MCHR1KDR
SCHEMBL8590190 0.81 KMT2A (0.47) HRH3RXFP1MCHR1KDRNPC1

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