SCHEMBL6532046

SCHEMBL6532046

O=C(O)Oc1ccc2c(c1)nc(NCc1ccncc1)n2C1CCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
OGFRL1 Q5TC84 3/20 0.41
OPRL1 P41146 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDH1 O75874 10/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
EPHX1 P07099 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL6528420 0.92 OGFRL1 (0.47) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL6528355 0.91 IDH1 (0.41) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL6529611 0.89 EGFR (0.43) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL6530899 0.85 OPRM1 (0.43) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL6532045 0.85 L3MBTL1 (0.58) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL6532520 0.84 ALDH1A1 (0.47) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL6527860 0.84 BRD4 (0.46) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL6530894 0.83 OGFRL1 (0.46) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL6530969 0.82 OGFRL1 (0.44) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL6528752 0.81 L3MBTL1 (0.42) OPRM1OPRD1OPRK1OGFRL1OPRL1

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