SCHEMBL8617490

SCHEMBL8617490

CSc1ccc(NC(=O)Nc2ccc(I)c(OCCN(C)C)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.49
NOX1 Q9Y5S8 1/20 0.49
MCHR1 Q99705 3/20 0.48
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
GBA1 P04062 1/20 0.43
KDR P35968 3/20 0.41
KIT P10721 1/20 0.41
FLT3 P36888 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
QPCT Q16769 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
SCHEMBL8617355 0.90 MAPT (0.52) HRH3MCHR1MAPTSMN1; SMN2RAB9A
SCHEMBL8590131 0.87 MCHR1 (0.53) HRH3MCHR1SMN1; SMN2KDRKIT
SCHEMBL8589629 0.85 HRH3 (0.50) HRH3NOX1MCHR1MAPTSMN1; SMN2
SCHEMBL8587504 0.82 HRH3 (0.53) HRH3MCHR1CA12CA1CA2
SCHEMBL6541884 0.82 MCHR1 (0.48) HRH3MCHR1MAPTSMN1; SMN2CYP1A2
SCHEMBL8589432 0.81 ALDH1A1 (0.51) HRH3NOX1MCHR1MAPTRAB9A
SCHEMBL8590964 0.81 HRH3 (0.51) HRH3MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8590953 0.81 MAPT (0.50) HRH3MCHR1MAPTSMN1; SMN2RAB9A
SCHEMBL8619358 0.80 MAPT (0.47) HRH3MCHR1MAPTSMN1; SMN2RAB9A
SCHEMBL8617360 0.78 HRH3 (0.43) HRH3MCHR1MAPTRAB9ATP53

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