SCHEMBL18902810

SCHEMBL18902810

C=C(CCCC(=C)NCCCCCOCCN)NCCCCCOCCN

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.32
GAA P10253 1/20 0.32
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRND Q07001 1/20 0.30
TLR2 O60603 1/20 0.30

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
SCHEMBL22892888 0.79 MEN1 (0.33) GAATLR2
SCHEMBL22271235 0.79 MEN1 (0.46)
SCHEMBL20979271 0.77 EPHX2 (0.34) GAA
SCHEMBL26248525 0.77 ALDH1A1 (0.34)
SCHEMBL18902601 0.73 KDM4A (0.39) PAOXGAACHRNA1CHRNGCHRNB1
SCHEMBL22326266 0.73 PAOX (0.41) PAOXGAA
SCHEMBL23544206 0.72 EPHX2 (0.40)
SCHEMBL25369676 0.72 PAOX (0.39) PAOXGAACHRNA1CHRNGCHRNB1
SCHEMBL3996449 0.71 CA1 (0.38) GAA
SCHEMBL3998325 0.71 CA1 (0.38) GAA

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
EP-3173408-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL Taisho Pharmaceutical Co., Ltd. (JP) 2017-05-31 EP disclosed