SCHEMBL6532288

SCHEMBL6532288

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 3/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 2/20 0.41
OGFRL1 Q5TC84 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRL1 P41146 1/20 0.41
IDH1 O75874 7/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
EGFR P00533 2/20 0.38
ALOX5AP P20292 1/20 0.38
SCD O00767 1/20 0.38

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
SCHEMBL6530899 0.92 OPRM1 (0.43) ACSL1OPRM1OPRK1OGFRL1OPRD1
SCHEMBL6527860 0.91 BRD4 (0.46) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL6528355 0.86 IDH1 (0.41) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL6529996 0.86 L3MBTL1 (0.40) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL6531083 0.85 L3MBTL1 (0.39) ACSL1OPRM1OPRK1OGFRL1OPRD1
SCHEMBL6528391 0.85 OPRM1 (0.41) ACSL1OPRM1OPRK1OGFRL1OPRD1
SCHEMBL6530267 0.84 HDAC6 (0.46) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL6530897 0.84 L3MBTL1 (0.60) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL6533044 0.82 ALDH1A1 (0.46) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL6528295 0.82 LMNA (0.44) OPRM1OPRK1OGFRL1OPRD1OPRL1

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