SCHEMBL22641209

SCHEMBL22641209

C=C/C(OC)=C(\C=C/C)n1nnc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.43
▸ GAA P10253 10/20 0.42
▸ MGAM O43451 9/20 0.42
▸ AMY1A P0DUB6 9/20 0.42
▸ SI P14410 9/20 0.42
▸ MGAM2 Q2M2H8 9/20 0.42
▸ F12 P00748 5/20 0.42
▸ MIF P14174 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ F2 P00734 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SLC9A1 P19634 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ASAH1 Q13510 1/20 0.38

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
SCHEMBL23591735 0.80 DGAT1 (0.46) DGAT1GAAMGAMAMY1ASI
SCHEMBL25494140 0.80 MAPT (0.44) DGAT1GAAMGAMAMY1ASI
SCHEMBL20458633 0.77 HTT (0.31) HTT
SCHEMBL21203205 0.74 DGAT1 (0.51) DGAT1GAAMGAMAMY1ASI
SCHEMBL20108539 0.73 DGAT1 (0.47) DGAT1GAAMGAMAMY1ASI
SCHEMBL2490623 0.72 MAPT (0.61) DGAT1GAAMGAMAMY1ASI
SCHEMBL3462909 0.72 MAPT (0.61) DGAT1GAAMGAMAMY1ASI
SCHEMBL20850940 0.70 DGAT1 (0.50) DGAT1GAAMGAMAMY1ASI
SCHEMBL3689328 0.68 GAA (0.58) DGAT1GAAMGAMAMY1ASI
SCHEMBL459733 0.68 GAA (0.60) DGAT1GAAMGAMAMY1ASI

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-3116858-B1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2020-11-11 — — EP disclosed
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