SCHEMBL8520797

SCHEMBL8520797

COCc1ccccc1C#CC1C(O)C2CCN1CC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
TACR1 P25103 11/20 0.38
CHRM5 P08912 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC18A3 Q16572 1/20 0.33
GBA1 P04062 1/20 0.31
CHRNA7 P36544 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
GPR65 Q8IYL9 1/20 0.31

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
SCHEMBL8421878 0.81 CHRNA7 (0.36) TACR1SLC18A3GBA1CHRNA7
SCHEMBL8420280 0.74 HRH3 (0.33) CYP2D6
SCHEMBL8417764 0.71 HPGD (0.34) ALDH1A1
SCHEMBL8419827 0.70 CYP2D6 (0.31) CYP2D6
SCHEMBL8419750 0.70 SMN1; SMN2 (0.34) ALDH1A1
SCHEMBL8421972 0.69 ACACB (0.38)
SCHEMBL8712010 0.69 CYP1A1 (0.38) SLC18A3
Hydrochloric Acid SCHEMBL8421977 0.68 FDFT1 (0.33) ALDH1A1
SCHEMBL31071608 0.68 FFAR1 (0.41) FFAR1
SCHEMBL8419673 0.67 FDFT1 (0.41)

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
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed