SCHEMBL3960705

SCHEMBL3960705

O=C(CC1CCN2CCCC1C2)Nc1cccc2ccccc12.[CH2]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 1/20 0.47
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CASP1 P29466 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
EPHX1 P07099 1/20 0.44
GAA P10253 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL2090145 0.72 MAPT (0.49) KDM4EALDH1A1CYP2C19MAPTKMT2A
SCHEMBL373131 0.68 GAA (0.72) ALDH1A1MAPTGAACHRM2CHRM1
SCHEMBL3966081 0.68 KDM4E (0.47) KDM4EALDH1A1HSD17B10CYP2C19LMNA
SCHEMBL11114287 0.68 MAPT (0.68) KDM4EALDH1A1CYP2C19LMNAMAPT
SCHEMBL27662340 0.68 MAPT (0.68) KDM4EALDH1A1CYP2C19MAPTKMT2A
SCHEMBL31611860 0.67 CYP2C19 (0.73) KDM4EALDH1A1HSD17B10CYP2C19LMNA
SCHEMBL6376333 0.66 HCRTR1 (0.55) KDM4EALDH1A1HSD17B10LMNAKMT2A
SCHEMBL14413875 0.66 KDM4E (0.71) KDM4EALDH1A1HSD17B10LMNAKMT2A
SCHEMBL1459283 0.66 MEN1 (0.52) KDM4EALDH1A1CYP2C19LMNAMAPT
SCHEMBL6293462 0.66 MAPT (0.70) KDM4EALDH1A1CYP2C19MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069346-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF Abbott Laboratories (US) 2009-06-17 EP disclosed
WO-2008118743-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2008-10-02 WO disclosed