SCHEMBL8900764

SCHEMBL8900764

C/C(CSc1ccc2c(c1)[nH]c1ccccc12)=C1/CN2CCC1CC2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ KIF11 P52732 4/20 0.36
▸ MAPT P10636 3/20 0.35
▸ CCR3 P51677 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL8900776 1.00 THRB (0.53) THRBHTTCHRNB2CHRNA4KIF11
SCHEMBL8898840 0.87 THRB (0.64) THRBHTTCHRNB2CHRNA4KIF11
SCHEMBL8898838 0.87 THRB (0.64) THRBHTTCHRNB2CHRNA4KIF11
SCHEMBL8898835 0.87 THRB (0.64) THRBHTTCHRNB2CHRNA4KIF11
SCHEMBL8900555 0.78 THRB (0.77) THRBHTTCHRNB2CHRNA4KIF11
SCHEMBL8900565 0.78 THRB (0.77) THRBHTTCHRNB2CHRNA4KIF11
Hydrochloric Acid SCHEMBL8900179 0.77 THRB (0.76) THRBHTTCHRNB2CHRNA4KIF11
Hydrochloric Acid SCHEMBL8900181 0.77 THRB (0.76) THRBHTTCHRNB2CHRNA4KIF11
SCHEMBL8898190 0.77 THRB (0.76) THRBHTTCHRNB2CHRNA4KIF11
SCHEMBL8899607 0.70 THRB (0.74) THRBHTTCHRNB2CHRNA4KIF11

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