SCHEMBL8017433

SCHEMBL8017433

O=C(O)c1ccc(Oc2ccc(CO)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.52
▸ OPRD1 P41143 7/20 0.52
▸ OPRK1 P41145 6/20 0.52
▸ LOXL2 Q9Y4K0 1/20 0.51
▸ SRD5A2 P31213 1/20 0.50
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ ADRB3 P13945 1/20 0.47

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
SCHEMBL30879440 0.84 LMNA (0.62) OPRM1OPRD1OPRK1LOXL2SMN1; SMN2
SCHEMBL16128019 0.83 TAS2R14 (0.49) OPRM1OPRD1OPRK1LOXL2SRD5A2
SCHEMBL510046 0.82 LTA4H (0.58) OPRM1OPRD1OPRK1LOXL2GRIN2D
SCHEMBL8021128 0.82 LMNA (0.50) OPRM1OPRD1OPRK1SMN1; SMN2TSHR
SCHEMBL30629781 0.81 LOXL2 (0.60) OPRM1OPRD1OPRK1LOXL2GRIN2D
SCHEMBL26117041 0.81 LOXL2 (0.60) OPRM1OPRD1OPRK1LOXL2GRIN2D
SCHEMBL21656511 0.81 MAPT (0.60) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL17870379 0.81 GAA (0.49) OPRM1OPRD1OPRK1LOXL2KCNH2
SCHEMBL8024751 0.80 SRD5A2 (0.68) SRD5A2SMN1; SMN2TSHRRXRARXRB
SCHEMBL23361553 0.80 KDM4E (0.58) OPRM1OPRD1OPRK1SMN1; SMN2MAPT

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
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 — — WO disclosed
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