SCHEMBL2822487

SCHEMBL2822487

CC1(C)OB(c2ccc(CC(=O)NCCN3CCCCC3)cc2)OC1(C)C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ POLB P06746 1/20 0.53
▸ KMT2A Q03164 4/20 0.50
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GLS O94925 2/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL2822368 0.90 POLB (0.67) GAASMN1; SMN2CYP2D6POLBKMT2A
SCHEMBL16511120 0.83 GAA (0.81) GAASMN1; SMN2CYP2D6POLBKMT2A
SCHEMBL3334146 0.82 NPSR1 (0.61) CYP2D6POLBKMT2AALDH1A1KDM4E
SCHEMBL16511117 0.81 GAA (0.83) GAASMN1; SMN2CYP2D6POLBKMT2A
SCHEMBL28327797 0.78 LPL (0.58) CYP3A4
SCHEMBL13065455 0.77 GAA (0.67) GAASMN1; SMN2CYP2D6POLBKMT2A
SCHEMBL3127109 0.77 CA1 (0.43) CA1CA2CA9
SCHEMBL2822477 0.76 KMT2A (0.76) GAASMN1; SMN2CYP2D6POLBKMT2A
SCHEMBL1354431 0.76 LPL (0.59) CYP3A4
SCHEMBL825962 0.75 GAA (0.64) GAASMN1; SMN2CYP2D6POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 — — WO disclosed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 — — WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 — — EP disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 — — EP disclosed
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