SCHEMBL6878795

SCHEMBL6878795

CN(C)c1ccc(NC(=S)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.43
GAA P10253 4/20 0.43
RAB9A P51151 8/20 0.41
NPC1 O15118 4/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX1 P07099 1/20 0.41
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADRA2A P08913 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
MCHR1 Q99705 1/20 0.38
ALOX12 P18054 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL6878792 1.00 SMN1; SMN2 (0.43) SMN1; SMN2GAARAB9ANPC1POLB
SCHEMBL6879741 0.94 SMN1; SMN2 (0.39) SMN1; SMN2GAARAB9ANPC1POLB
SCHEMBL6879728 0.94 SMN1; SMN2 (0.39) SMN1; SMN2GAARAB9ANPC1POLB
SCHEMBL6879736 0.94 SMN1; SMN2 (0.39) SMN1; SMN2GAARAB9ANPC1POLB
SCHEMBL6879250 0.92 RAB9A (0.44) SMN1; SMN2GAARAB9ANPC1POLB
SCHEMBL6879246 0.92 RAB9A (0.44) SMN1; SMN2GAARAB9ANPC1POLB
SCHEMBL6878845 0.92 SMN1; SMN2 (0.52) SMN1; SMN2GAARAB9ANPC1POLB
SCHEMBL6878840 0.92 SMN1; SMN2 (0.52) SMN1; SMN2GAARAB9ANPC1POLB
SCHEMBL6876383 0.91 SMN1; SMN2 (0.51) SMN1; SMN2GAARAB9ANPC1POLB
SCHEMBL6456286 0.91 SMN1; SMN2 (0.41) SMN1; SMN2GAARAB9ANPC1POLB

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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed