SCHEMBL4742666

SCHEMBL4742666

CCOC(=O)Cn1cc(CCO[Si](C)(C)C(C)(C)C)nn1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
MAPK1 P28482 1/20 0.37
EP300 Q09472 6/20 0.35
MAPK14 Q16539 1/20 0.35
PKM P14618 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL14104171 0.82 SRC (0.43) SRCMAPK1EP300MAPK14PKM
SCHEMBL23069262 0.81 CYP19A1 (0.47) SRCMAPK1EP300MAPK14PKM
SCHEMBL16033032 0.78 GGPS1 (0.48) SRCMAPK1EP300L3MBTL1
SCHEMBL14788175 0.78 MAPK1 (0.51) SRCMAPK1EP300MAPK14PKM
SCHEMBL16612622 0.76 MAPK1 (0.46) SRCMAPK1EP300MAPK14PKM
SCHEMBL16612208 0.75 MAPK1 (0.45) SRCMAPK1EP300MAPK14PKM
SCHEMBL15121329 0.75 SRC (0.47) SRCMAPK1EP300MAPK14PKM
SCHEMBL18839729 0.75 PKM (0.60) MAPK1PKMATMHSD17B10ALDH1A1
SCHEMBL18839745 0.75 MAPK1 (0.53) MAPK1PKMATMHSD17B10ALDH1A1
SCHEMBL12847886 0.74 SRC (0.44) SRCMAPK1EP300MAPK14PKM

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-2008096127-A2 BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USE AS M3 MUSCARINIC RECEPTOR MODULATORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed