SCHEMBL6600554

SCHEMBL6600554

c1ccc([C]2CCCCC2(c2ccccn2)c2ncccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
OPRM1 P35372 4/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CNR2 P34972 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
SCHEMBL3357000 0.72 DPP4 (0.38) HSD11B1
SCHEMBL9682670 0.72 ALDH1A1 (0.43) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL30825707 0.68 GRIN1 (0.58) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL30825709 0.68 GRIN1 (0.58) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL30825701 0.68 GRIN1 (0.58) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL27451854 0.68 GRIN1 (0.58) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL13330626 0.67 GRIN1 (0.49) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL9683265 0.67 GRIN1 (0.39) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL30731373 0.64 GRIN1 (0.45) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL29980976 0.63 OPRM1 (0.57) GRIN1GRIN2AGRIN2BOPRM1OPRD1

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-1373258-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2004-01-02 EP disclosed
WO-2002060896-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO disclosed