SCHEMBL8900933

SCHEMBL8900933

B.Cn1c2ccccc2c2ccc(OCC=C3CN4CCC3CC4)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CHRNA7 P36544 2/20 0.40
▸ MCHR1 Q99705 3/20 0.40
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ PSEN1 P49768 5/20 0.35
▸ PSEN2 P49810 5/20 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
Hydrochloric Acid SCHEMBL8901203 0.98 HTT (0.40) HTTL3MBTL1MAPTHPGDKDM4E
Hydrochloric Acid SCHEMBL8901209 0.98 HTT (0.40) HTTL3MBTL1MAPTHPGDKDM4E
SCHEMBL8900100 0.87 PSEN1 (0.39) HTTCHRNA7MCHR1CHRNB2CHRNB4
SCHEMBL8900617 0.87 PTGER4 (0.43) HTTCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL8899708 0.86 PSEN1 (0.39) HTTMAPTMEN1KMT2ACHRNA7
SCHEMBL8898300 0.85 PTGER4 (0.43) HTTCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL8898309 0.85 PTGER4 (0.43) HTTCHRNA7CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL8900691 0.85 PSEN1 (0.39) HTTCHRNA7MCHR1CHRNB2CHRNB4
SCHEMBL8901561 0.85 PSEN1 (0.40) HTTMAPTMEN1KMT2ACHRNA7
SCHEMBL8901569 0.85 PSEN1 (0.40) HTTMAPTMEN1KMT2ACHRNA7

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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