SCHEMBL8046424

SCHEMBL8046424

CCC[C@@H]1CO[C@@H](c2ccc(C#N)cc2)CO1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.41
CHRM3 P20309 6/20 0.41
CHRM4 P08173 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM5 P08912 6/20 0.39
GRM2 Q14416 1/20 0.36
CYP2A6 P11509 1/20 0.36
HTR1A P08908 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
GRIA2 P42262 1/20 0.33
KCNH2 Q12809 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
SCHEMBL8046421 1.00 CHRM2 (0.41) CHRM2CHRM3CHRM4CHRM1CHRM5
SCHEMBL7508064 1.00 CHRM2 (0.41) CHRM2CHRM3CHRM4CHRM1CHRM5
SCHEMBL10688995 0.96 CHRM2 (0.47) CHRM2CHRM3CHRM4CHRM1CHRM5
SCHEMBL10688989 0.96 CHRM2 (0.47) CHRM2CHRM3CHRM4CHRM1CHRM5
SCHEMBL10689002 0.96 CHRM2 (0.47) CHRM2CHRM3CHRM4CHRM1CHRM5
SCHEMBL8449001 0.92 GRM2 (0.43) CHRM2CHRM3CHRM4CHRM1CHRM5
SCHEMBL10687897 0.92 GRM2 (0.43) CHRM2CHRM3CHRM4CHRM1CHRM5
SCHEMBL10690076 0.90 ALDH1A1 (0.47) CHRM2CHRM3CHRM4CHRM1CHRM5
SCHEMBL10357021 0.90 ALDH1A1 (0.47) CHRM2CHRM3CHRM4CHRM1CHRM5
SCHEMBL10686785 0.89 ALDH1A1 (0.50) CHRM2CHRM3CHRM4CHRM1CHRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700982-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-04-26 EP disclosed
EP-0700982-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-03-13 EP disclosed