SCHEMBL8901569

SCHEMBL8901569

OCCn1c2ccccc2c2ccc(OCC=C3CN4CCC3CC4)cc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 12/20 0.40
▸ PSEN2 P49810 12/20 0.40
▸ APH1B Q8WW43 12/20 0.40
▸ NCSTN Q92542 12/20 0.40
▸ APH1A Q96BI3 12/20 0.40
▸ PSENEN Q9NZ42 12/20 0.40
▸ THRB P10828 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CHRNA7 P36544 2/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMPD1 P17405 1/20 0.35

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
SCHEMBL8901561 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8899708 0.99 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8900695 0.90 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8900691 0.90 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8900100 0.90 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8898300 0.88 PTGER4 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8898669 0.88 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8901562 0.88 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8898671 0.88 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8898309 0.88 PTGER4 (0.43) 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
EP-0812840-A1 NOVEL QUINUCLIDINE DERIVATIVES HAVING TRICYCLIC FUSED HETERO RING YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-12-17 — — EP disclosed
Send feedback