SCHEMBL8280912

SCHEMBL8280912

CC(=O)c1csc(CN2CCCCC2)n1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.63
FPR3 P25089 4/20 0.46
FPR2 P25090 4/20 0.46
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DHFR P00374 1/20 0.43
EGFR P00533 1/20 0.43
BAZ2A Q9UIF9 4/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2215321 0.86 HRH3 (0.61) HRH3MEN1KMT2ADHFREGFR
SCHEMBL15650519 0.85 HRH3 (0.60) HRH3MEN1KMT2ADHFREGFR
SCHEMBL1807775 0.84 HRH3 (0.59) HRH3MEN1KMT2ADHFREGFR
SCHEMBL10425978 0.82 HRH3 (0.57) HRH3MAPTNPC1RAB9AMEN1
SCHEMBL3386166 0.78 HRH3 (1.00) HRH3MEN1KMT2A
SCHEMBL13547516 0.73 MAPT (0.53) FPR3FPR2MAPTNPC1RAB9A
SCHEMBL10425525 0.73 HRH3 (0.47) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL15650902 0.72 HRH3 (0.57) HRH3DHFREGFRBAZ2AALOX15
SCHEMBL17177230 0.72 HRH3 (0.46) HRH3FPR3FPR2NPC1RAB9A
SCHEMBL2642294 0.72 MAPT (0.51) FPR3FPR2MAPTNPC1RAB9A

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-2005096734-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-20 WO disclosed