SCHEMBL7010132

SCHEMBL7010132

O=C(O)c1ccc(-c2nc3ccccc3n2C2CCCCC2)nc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
OGFRL1 Q5TC84 12/20 0.50
OPRM1 P35372 10/20 0.50
OPRK1 P41145 10/20 0.50
OPRD1 P41143 9/20 0.50
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC10 Q969S8 2/20 0.48
PRKACA P17612 2/20 0.47
RPS6KB1 P23443 2/20 0.47
GSK3B P49841 2/20 0.47
ROCK1 Q13464 2/20 0.47
OPRL1 P41146 2/20 0.47
TP53 P04637 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL5108137 0.80 L3MBTL1 (0.65) L3MBTL1
SCHEMBL14382628 0.79 L3MBTL1 (0.63) L3MBTL1
SCHEMBL791584 0.75 CYP1A2 (0.47) L3MBTL1
SCHEMBL28236159 0.75 CYP11B2 (0.63) OGFRL1OPRM1OPRK1OPRD1HDAC1
SCHEMBL14382557 0.74 L3MBTL1 (0.59) L3MBTL1OGFRL1HDAC1HDAC6RPS6KB1
Hydrochloric Acid SCHEMBL7175207 0.74 RPS6KB1 (0.56) OGFRL1OPRM1OPRK1OPRD1HDAC1
Hydrochloric Acid SCHEMBL7182759 0.74 RPS6KB1 (0.56) OGFRL1OPRM1OPRK1OPRD1HDAC1
Hydrochloric Acid SCHEMBL7183988 0.74 RPS6KB1 (0.56) OGFRL1OPRM1OPRK1OPRD1HDAC1
Hydrochloric Acid SCHEMBL7185555 0.74 RPS6KB1 (0.56) OGFRL1OPRM1OPRK1OPRD1HDAC1
Hydrochloric Acid SCHEMBL7175623 0.74 RPS6KB1 (0.56) OGFRL1OPRM1OPRK1OPRD1HDAC1

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-1301487-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-04-16 EP disclosed
WO-2002004425-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-17 WO disclosed