SCHEMBL4630348

SCHEMBL4630348

C1=CCC(c2ccccc2)(c2ccccn2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
KDM4E B2RXH2 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
LDHA P00338 1/20 0.30
LDHB P07195 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL2283117 0.84 HDAC4 (0.34) OPRM1OPRK1OPRL1
Ethylene SCHEMBL27402897 0.81 HDAC4 (0.32) OPRM1OPRK1OPRL1
Biphenyl SCHEMBL28885424 0.79 ALDH1A1 (0.36) ALDH1A1
SCHEMBL29777956 0.75 SLC6A2 (0.36) GRIN2BGRIN1GRIN2AOPRM1OPRD1
SCHEMBL22911623 0.75 SLC6A2 (0.36) GRIN2BGRIN1GRIN2AOPRM1OPRD1
SCHEMBL30663214 0.75 KDM1A (0.36) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL27636806 0.74 MTOR (0.34) ALDH1A1
SCHEMBL14685895 0.73 GRIN1 (0.35) GRIN2BGRIN1GRIN2AOPRM1OPRD1
SCHEMBL5969621 0.73 GRIN1 (0.35) GRIN2BGRIN1GRIN2AOPRM1OPRD1
SCHEMBL28255360 0.73 GRIN1 (0.33) GRIN2BGRIN1GRIN2ACHRM2CHRM4

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-1923385-A1 Iridium complex, carbazole derivatives and copolymer having the same Gwangju Institute of Science and Technology (KR) 2008-05-21 EP claimed