SCHEMBL6530967

SCHEMBL6530967

Cc1ccccc1CNc1nc2cc(C(=O)O)ccc2n1C1CCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
OGFRL1 Q5TC84 5/20 0.46
HDAC6 Q9UBN7 3/20 0.46
OPRM1 P35372 3/20 0.46
OPRK1 P41145 3/20 0.46
OPRD1 P41143 2/20 0.46
OPRL1 P41146 2/20 0.46
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HCAR3 P49019 2/20 0.44
IDH1 O75874 3/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6532555 0.91 L3MBTL1 (0.57) L3MBTL1OGFRL1HDAC6OPRM1OPRK1
SCHEMBL6528750 0.90 L3MBTL1 (0.60) L3MBTL1OGFRL1HDAC6OPRM1OPRK1
SCHEMBL6530970 0.88 L3MBTL1 (0.55) L3MBTL1OGFRL1HDAC6OPRM1OPRK1
SCHEMBL6528422 0.87 L3MBTL1 (0.60) L3MBTL1OGFRL1HDAC6OPRM1OPRK1
SCHEMBL6530969 0.86 OGFRL1 (0.44) L3MBTL1OGFRL1HDAC6OPRM1OPRK1
SCHEMBL6530897 0.84 L3MBTL1 (0.60) L3MBTL1OGFRL1HDAC6OPRM1OPRK1
SCHEMBL6528391 0.83 OPRM1 (0.41) L3MBTL1OGFRL1HDAC6OPRM1OPRK1
SCHEMBL6532516 0.83 L3MBTL1 (0.55) L3MBTL1OGFRL1HDAC6OPRM1OPRK1
SCHEMBL6530018 0.83 L3MBTL1 (0.55) L3MBTL1OGFRL1HDAC6OPRM1OPRK1
SCHEMBL6532045 0.81 L3MBTL1 (0.58) L3MBTL1OGFRL1HDAC6OPRM1OPRK1

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
WO-2005019186-A1 2-AMINOBENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF HIV/AIDS BAYER HEALTHCARE AG (DE) 2005-03-03 WO disclosed