SCHEMBL11713402

SCHEMBL11713402

Nc1ccc(Oc2cccc(OCCCC3COCCN3)c2)cc1N

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.37
MKNK1 Q9BUB5 2/20 0.35
LTA4H P09960 3/20 0.34
KDM4E B2RXH2 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33

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
SCHEMBL11714547 0.92 NR4A1 (0.40) NR4A1MKNK1LTA4HPRKACAPRKACG
SCHEMBL11715795 0.86 MKNK1 (0.38) NR4A1MKNK1LTA4HPRKACAPRKACG
SCHEMBL11715787 0.84 MKNK1 (0.34) MKNK1PRKACAPRKACGPRKACB
SCHEMBL11720743 0.83 HRH3 (0.37) MKNK1
SCHEMBL11722232 0.80 MKNK1 (0.33) MKNK1
SCHEMBL11714984 0.79 LTA4H (0.37) MKNK1LTA4HKDM4E
SCHEMBL11712033 0.78 CHRNB4 (0.47) NR4A1LTA4H
SCHEMBL11716280 0.77 LTA4H (0.50) NR4A1LTA4H
SCHEMBL11713407 0.76 SLC6A2 (0.38) NR4A1MKNK1KDM4E
SCHEMBL11716570 0.74 SLC6A2 (0.43) NR4A1KDM4E

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
US-4010272-A ANTHELMINTICALLY ACTIVE BASICALLY SUBSTITUTED 2-CARBALKOXY-AMINO-BENZIMIDAZOLYL-5(6)-PHENYL ETHERS AND -KETONES HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 US disclosed