SCHEMBL8714523

SCHEMBL8714523

COCCn1c2ccccc2c2ccc(OCC=C3CC4CCN3CC4)cc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.42
▸ PSEN1 P49768 13/20 0.39
▸ PSEN2 P49810 13/20 0.39
▸ APH1B Q8WW43 13/20 0.39
▸ NCSTN Q92542 13/20 0.39
▸ APH1A Q96BI3 13/20 0.39
▸ PSENEN Q9NZ42 13/20 0.39
▸ ADRA2A P08913 1/20 0.35
▸ SMPD1 P17405 1/20 0.35
▸ CNR2 P34972 2/20 0.34

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
SCHEMBL8711865 0.88 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8711929 0.88 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8711493 0.88 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8715050 0.87 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8714183 0.86 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8711699 0.86 HPGD (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8714508 0.86 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8714405 0.85 HPGD (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8715733 0.84 CYP19A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8898300 0.80 PTGER4 (0.43) PTGER4PSEN1PSEN2APH1BNCSTN

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-5830902-A SQUALENE SYNTHASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-03 — — US disclosed
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