SCHEMBL6530894

SCHEMBL6530894

O=C(O)Oc1ccc2c(c1)nc(NCCc1ccccc1)n2C1CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 6/20 0.46
OPRM1 P35372 4/20 0.46
OPRD1 P41143 4/20 0.46
OPRK1 P41145 4/20 0.46
OPRL1 P41146 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
IDH1 O75874 7/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC10 Q969S8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ITK Q08881 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
SCHEMBL6530267 0.92 HDAC6 (0.46) OGFRL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6528420 0.90 OGFRL1 (0.47) OGFRL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6530892 0.85 L3MBTL1 (0.58) OGFRL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6530899 0.83 OPRM1 (0.43) OGFRL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6529611 0.83 EGFR (0.43) OGFRL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6532046 0.83 OPRM1 (0.41) OGFRL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6532520 0.82 ALDH1A1 (0.47) OGFRL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6530969 0.82 OGFRL1 (0.44) OGFRL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6527860 0.82 BRD4 (0.46) OGFRL1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6530972 0.81 LMNA (0.44) OGFRL1OPRM1OPRD1OPRK1OPRL1

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