SCHEMBL8899634

SCHEMBL8899634

CCN(CC)CCCn1c2ccccc2c2ccc(OC/C=C3\CN4CCC3CC4)cc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 14/20 0.43
▸ PSEN2 P49810 14/20 0.43
▸ APH1B Q8WW43 14/20 0.43
▸ NCSTN Q92542 14/20 0.43
▸ APH1A Q96BI3 14/20 0.43
▸ PSENEN Q9NZ42 14/20 0.43
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ SMPD1 P17405 2/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ ALK Q9UM73 1/20 0.36

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
SCHEMBL8899640 1.00 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8900486 0.89 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8900477 0.89 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8898307 0.86 HTR2A (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8898319 0.86 HTR2A (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8901562 0.86 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8898669 0.86 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8898671 0.86 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8899764 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8899756 0.85 PSEN1 (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
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