SCHEMBL9986453

SCHEMBL9986453

CC(C)N1CCN(c2nccc(-c3ccc(CC#N)cc3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.47
SORD Q00796 1/20 0.44
DKK1 O94907 2/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3R1 P27986 1/20 0.37
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
PANK3 Q9H999 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL1742937 0.81 GPR119 (0.43) ACHEPIK3CAPIK3CDPIK3CBABL1
SCHEMBL1744087 0.78 RET (0.39) PIK3CAPIK3CDPIK3CBABL1EGFR
SCHEMBL15344920 0.70 SORD (0.59) ACHESORDHRH3
SCHEMBL15341759 0.69 ACHE (0.54) ACHESORDPANK3HRH3
SCHEMBL17671346 0.68 KDM4E (0.52) ACHE
SCHEMBL18652300 0.68 ACHE (0.51) ACHESORDPANK3HRH3
SCHEMBL26748791 0.67 ACHE (0.52) ACHESORD
SCHEMBL17310242 0.66 OGA (0.60) ACHESORDHRH3
SCHEMBL13677029 0.65 OGA (0.65) ACHESORD
SCHEMBL5962506 0.65 OGA (0.54) ACHE

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-2233470-B1 Histamine H3 receptor antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2011-12-07 EP disclosed