SCHEMBL19089866

SCHEMBL19089866

c1ccc(-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccccc3-c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ CHRNA1 P02708 1/20 0.32
▸ CHRNG P07510 1/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ CHRND Q07001 1/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32

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
SCHEMBL19089817 0.92 SLC6A9 (0.35) ALDH1A1LMNAHTTCHRNA1CHRNG
SCHEMBL19089924 0.92 ALDH1A1 (0.35) ALDH1A1LMNAHTTCHRNA1CHRNG
SCHEMBL19089887 0.91 ALDH1A1 (0.34) ALDH1A1LMNAHTTGRIN2DGRIN3B
SCHEMBL19089848 0.91 ALDH1A1 (0.34) ALDH1A1LMNAHTTGRIN2DGRIN3B
SCHEMBL19089825 0.91 CA12 (0.37) ALDH1A1LMNAHTTCHRNA1CHRNG
SCHEMBL19089905 0.91 CA12 (0.37) ALDH1A1LMNAHTTCHRNA1CHRNG
SCHEMBL24421883 0.88 LMNA (0.37) ALDH1A1LMNAHTTGRIN2DGRIN3B
SCHEMBL19089995 0.88 CA12 (0.39) ALDH1A1LMNACHRNA1CHRNGCHRNB1
SCHEMBL24421884 0.88 LMNA (0.41) ALDH1A1LMNAHTTGRIN2DGRIN3B
SCHEMBL21207234 0.87 MEN1 (0.35) ALDH1A1LMNAHTTCHRNA1CHRNG

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-2017116168-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 머티어리얼사이언스 주식회사 2017-07-06 — — WO disclosed
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