SCHEMBL12712080

SCHEMBL12712080

Nc1ccc(CCNCCCNCCc2ccc(N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.56
▸ SIGMAR1 Q99720 7/20 0.54
▸ MAOB P27338 4/20 0.50
▸ MAOA P21397 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL14327166 0.90 GFER (0.50) GFERSIGMAR1MAOBTSHR
SCHEMBL12712069 0.89 GFER (0.45) GFERSIGMAR1MAOBMAOAALDH1A1
SCHEMBL12712072 0.89 GFER (0.45) GFERSIGMAR1MAOBMAOAALDH1A1
SCHEMBL14388185 0.88 GFER (0.48) GFERSIGMAR1MAOBMAOA
SCHEMBL12712050 0.86 MAOB (0.61) GFERSIGMAR1MAOB
SCHEMBL12736735 0.84 SIGMAR1 (0.61) GFERSIGMAR1MAOB
SCHEMBL19245769 0.84 MAOB (0.71) GFERSIGMAR1MAOBMAOAALDH1A1
SCHEMBL12712053 0.84 SIGMAR1 (0.63) GFERSIGMAR1MAOB
SCHEMBL5106498 0.83 SIGMAR1 (0.54) GFERSIGMAR1MAOBMAOA
SCHEMBL25343016 0.83 GFER (0.52) GFERSIGMAR1MAOBMAOAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110080547-A1 LIQUID CRYSTAL DISPLAY DEVICE JAPAN DISPLAY EAST INC. (JP) 2011-04-07 — — US disclosed
US-20110080547-A1 LIQUID CRYSTAL DISPLAY DEVICE JAPAN DISPLAY EAST INC. (JP) 2011-04-07 — — US disclosed
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