SCHEMBL6531083

SCHEMBL6531083

COC(=O)Oc1ccc2c(c1)nc(NCc1cccc(C)c1C)n2C1CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
OGFRL1 Q5TC84 2/20 0.38
IDH1 O75874 10/20 0.38
ACSL1 P33121 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
PRKDC P78527 1/20 0.35

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 0.93 OPRM1 (0.41) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6529996 0.87 L3MBTL1 (0.40) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6528295 0.87 LMNA (0.44) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL6532288 0.85 ACSL1 (0.41) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6530969 0.85 OGFRL1 (0.44) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6532558 0.84 L3MBTL1 (0.41) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6528355 0.82 IDH1 (0.41) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6533044 0.82 ALDH1A1 (0.46) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6530972 0.80 LMNA (0.44) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL6528752 0.79 L3MBTL1 (0.42) L3MBTL1OPRM1OPRD1OPRK1OPRL1

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