SCHEMBL6528752

SCHEMBL6528752

Cc1ccc(CNc2nc3cc(OC(=O)O)ccc3n2C2CCCCCC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
EGFR P00533 2/20 0.38
IDH1 O75874 11/20 0.38
LMNA P02545 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL6529996 0.92 L3MBTL1 (0.40) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6530969 0.90 OGFRL1 (0.44) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6528750 0.86 L3MBTL1 (0.60) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6530899 0.86 OPRM1 (0.43) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6532558 0.85 L3MBTL1 (0.41) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6530972 0.83 LMNA (0.44) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL6528420 0.83 OGFRL1 (0.47) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6528391 0.82 OPRM1 (0.41) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6532046 0.81 OPRM1 (0.41) L3MBTL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6532520 0.79 ALDH1A1 (0.47) 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