SCHEMBL4954546

SCHEMBL4954546

CC1CCC2CC1(c1ccccn1)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 2/20 0.38
NR3C1 P04150 1/20 0.35
OPRM1 P35372 6/20 0.33
OPRL1 P41146 6/20 0.33
SLC6A4 P31645 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CXCR3 P49682 1/20 0.31
HSD11B1 P28845 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL31119898 0.68 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4669637 0.68 NR3C1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4443441 0.68 NR3C1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4669632 0.68 NR3C1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4668723 0.68 NR3C1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6360946 0.68 NR3C1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4668053 0.68 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8076566 0.66
SCHEMBL22768227 0.66 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31005151 0.64 CHRNA7 (0.32) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354625-B2 For packaging material, which requires air-tightness and oxygen barrier properties, to be used for foods, medical drugs, electronic parts FUJIFILM CORPORATION (JP) 2008-04-08 US disclosed
US-20030157346-A1 Gas Barrier film FUJI PHOTO FILM CO., LTD. 2003-08-21 US disclosed
EP-1336637-A1 Gas barrier film FUJI PHOTO FILM CO., LTD. (JP) 2003-08-20 EP disclosed