SCHEMBL10170130

SCHEMBL10170130

CN1C(C)(c2ccccc2)CCC1(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.45
DRD4 P21917 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
PAX8 Q06710 1/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
BACE1 P56817 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
GRIN1 Q05586 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 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
SCHEMBL3389799 0.79 ALDH1A1 (0.43) OPRM1DRD4ALDH1A1LMNAGAA
SCHEMBL3389800 0.79 ALDH1A1 (0.43) OPRM1DRD4ALDH1A1LMNAGAA
SCHEMBL15428009 0.78 SRD5A1 (0.38) ALDH1A1
SCHEMBL4296257 0.74 OPRM1 (0.44) OPRM1DRD4ALDH1A1LMNAGAA
SCHEMBL440389 0.74 ALDH1A1 (0.40) OPRM1DRD4ALDH1A1LMNAGAA
SCHEMBL440388 0.74 ALDH1A1 (0.40) OPRM1DRD4ALDH1A1LMNAGAA
SCHEMBL14369406 0.73 OPRM1 (0.43) OPRM1ALDH1A1LMNAL3MBTL1OPRL1
SCHEMBL29082026 0.73 GRIN1 (0.47) OPRM1DRD4ALDH1A1GRIN2DGRIN3B
Ammonia Solution, Strong SCHEMBL29082373 0.71 GRIN1 (0.46) OPRM1DRD4ALDH1A1GRIN2DGRIN3B
SCHEMBL6317684 0.71 ALDH1A1 (0.41) OPRM1ALDH1A1OPRK1OPRL1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2169018-B1 Ink composition and inkjet recording method FUJIFILM CORP (JP) 2012-01-18 EP disclosed
US-7900558-B2 Radiation-curable polymerizable composition, ink composition, inkjet recording method, printed material, planographic printing plate, and method for forming planographic printing plate FUJIFILM CORPORATION (JP) 2011-03-08 US disclosed
US-20100080926-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100080926-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100080925-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100080925-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
EP-2169018-A2 Ink composition and inkjet recording method Fujifilm Corporation (JP) 2010-03-31 EP disclosed
EP-2169022-A1 Ink composition and inkjet recording method Fujifilm Corporation (JP) 2010-03-31 EP disclosed
US-20080187727-A1 RADIATION-CURABLE POLYMERIZABLE COMPOSITION, INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, PLANOGRAPHIC PRINTING PLATE, AND METHOD FOR FORMING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2008-08-07 US disclosed
EP-1952982-A1 Radiation-curable polymerizable composition, ink composition, inkjet recording method, printed material, planographic printing plate, and method for forming planographic printing plate FUJIFILM Corporation (JP) 2008-08-06 EP disclosed