SCHEMBL6530969

SCHEMBL6530969

Cc1ccccc1CNc1nc2cc(OC(=O)O)ccc2n1C1CCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 5/20 0.44
OPRL1 P41146 3/20 0.44
OPRM1 P35372 3/20 0.44
OPRK1 P41145 3/20 0.44
OPRD1 P41143 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ACSL1 P33121 1/20 0.43
ALOX5AP P20292 2/20 0.42
HDAC6 Q9UBN7 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC10 Q969S8 2/20 0.39
IDH1 O75874 3/20 0.38
LMNA P02545 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 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
SCHEMBL6528391 0.92 OPRM1 (0.41) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL6532558 0.91 L3MBTL1 (0.41) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL6528752 0.90 L3MBTL1 (0.42) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL6530972 0.89 LMNA (0.44) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL6528420 0.88 OGFRL1 (0.47) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL6530967 0.86 L3MBTL1 (0.61) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL6531083 0.85 L3MBTL1 (0.39) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL6530899 0.85 OPRM1 (0.43) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL6532520 0.84 ALDH1A1 (0.47) OGFRL1OPRL1OPRM1OPRK1OPRD1
SCHEMBL6532046 0.82 OPRM1 (0.41) OGFRL1OPRL1OPRM1OPRK1OPRD1

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