SCHEMBL8714183

SCHEMBL8714183

NCCCn1c2ccccc2c2ccc(OCC=C3CC4CCN3CC4)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 14/20 0.40
▸ PSEN2 P49810 14/20 0.40
▸ APH1B Q8WW43 14/20 0.40
▸ NCSTN Q92542 14/20 0.40
▸ APH1A Q96BI3 14/20 0.40
▸ PSENEN Q9NZ42 14/20 0.40
▸ HASPIN Q8TF76 3/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ GLA P06280 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 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
SCHEMBL8714508 0.97 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8711929 0.94 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8715050 0.93 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8711493 0.90 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8711865 0.88 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8714523 0.86 PTGER4 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8715733 0.84 CYP19A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8711699 0.84 HPGD (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8714405 0.83 HPGD (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8898671 0.80 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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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