SCHEMBL16258958

SCHEMBL16258958

O=C1N[C@@H]2C[C@H]2/C=C\CCCCCCC(=O)N2CCC[C@@H]12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ PSMB9 P28065 11/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PSMB8 P28062 4/20 0.33
▸ HDAC4 P56524 3/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7932107 0.84 PPIA (0.33) PSMB9KDM4EALDH1A1GAAMAPT
SCHEMBL8244703 0.82 HDAC4 (0.42) ALDH1A1HDAC4HDAC1SMN1; SMN2
SCHEMBL19869647 0.80 HDAC4 (0.38) KDM4EALDH1A1GAAMAPTHDAC4
SCHEMBL4304535 0.77 PSMB9 (0.41) PSMB9PSMB8
SCHEMBL12472216 0.76 PSMB9 (0.37) PSMB9MAPTPSMB8HDAC4HDAC1
SCHEMBL12468463 0.74 PSMB9 (0.32) OPRM1OPRD1PSMB9PSMB8HDAC4
SCHEMBL12467655 0.74 PSMB9 (0.32) OPRM1OPRD1PSMB9PSMB8HDAC4
SCHEMBL6382019 0.73 F2 (0.37) GAAHDAC4HDAC1
SCHEMBL8249384 0.73 F2 (0.37) GAAHDAC4HDAC1
SCHEMBL7919172 0.72 BIRC3 (0.39) HDAC4HDAC1

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-2089385-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2016-01-06 — — EP disclosed
EP-2086994-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 — — EP disclosed
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