SCHEMBL11006351

SCHEMBL11006351

Nc1nc2ccc(/C(=N/O)c3ccccc3)cc2n1C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 1/20 0.53
▸ HCAR1 Q9BXC0 1/20 0.41
▸ OGFRL1 Q5TC84 7/20 0.40
▸ OPRM1 P35372 6/20 0.40
▸ OPRD1 P41143 6/20 0.40
▸ OPRK1 P41145 6/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ACSS2 Q9NR19 1/20 0.38
▸ PRKACA P17612 2/20 0.38
▸ RPS6KB1 P23443 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ OPRL1 P41146 3/20 0.38
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL11006353 1.00 PI4KB (0.53) PI4KBHCAR1OGFRL1OPRM1OPRD1
SCHEMBL11116471 0.87 PI4KB (0.43) PI4KBHCAR1OGFRL1OPRM1OPRD1
SCHEMBL11007999 0.78 PI4KB (0.60) PI4KBHCAR1ACSS2KDM4EALDH1A1
SCHEMBL11008003 0.78 PI4KB (0.60) PI4KBHCAR1ACSS2KDM4EALDH1A1
SCHEMBL11015999 0.76 PI4KB (0.69) PI4KBL3MBTL1TP53RPS6KB1GSK3B
SCHEMBL11016000 0.76 PI4KB (0.69) PI4KBL3MBTL1TP53RPS6KB1GSK3B
SCHEMBL21311255 0.74 OPRM1 (0.59) HCAR1OGFRL1OPRM1OPRD1OPRK1
SCHEMBL2929873 0.73 RPS6KB1 (0.58) HCAR1OGFRL1OPRM1OPRD1OPRK1
SCHEMBL11557178 0.73 PI4KB (0.51) PI4KBALDH1A1GFERALK
SCHEMBL11557174 0.73 PI4KB (0.51) PI4KBALDH1A1GFERALK

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
US-4492708-A Antiviral benzimidazoles ELI LILLY AND COMPANY (US) 1985-01-08 — — US claimed
EP-0111993-A2 Improvements in or relating to benzimidazoles ELI LILLY AND COMPANY (US) 1984-06-27 — — EP claimed
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