SCHEMBL8900617

SCHEMBL8900617

B.COCCn1c2ccccc2c2ccc(OCC=C3CN4CCC3CC4)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.43
▸ PSEN1 P49768 11/20 0.39
▸ PSEN2 P49810 11/20 0.39
▸ APH1B Q8WW43 11/20 0.39
▸ NCSTN Q92542 11/20 0.39
▸ APH1A Q96BI3 11/20 0.39
▸ PSENEN Q9NZ42 11/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ SMPD1 P17405 1/20 0.38
▸ CNR2 P34972 2/20 0.37
▸ ADRA2A P08913 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 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
SCHEMBL8898309 0.99 PTGER4 (0.43) PTGER4PSEN1PSEN2APH1BNCSTN
SCHEMBL8898300 0.99 PTGER4 (0.43) PTGER4PSEN1PSEN2APH1BNCSTN
SCHEMBL8900100 0.89 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8899708 0.88 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8901569 0.87 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8901561 0.87 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8900695 0.87 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8900691 0.87 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8900933 0.87 HTT (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8898778 0.86 PSEN1 (0.39) 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
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