SCHEMBL6008912

SCHEMBL6008912

O=C(N[C@H]1CN2CCC1CC2)c1cc2cc(C#CCN3CCNCC3)oc2cn1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.54
CHRNA7 P36544 7/20 0.54
HTR3E A5X5Y0 3/20 0.54
HTR3B O95264 3/20 0.54
HTR3D Q70Z44 3/20 0.54
HTR3C Q8WXA8 3/20 0.54
KCNH2 Q12809 2/20 0.39
CYP2D6 P10635 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38

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
SCHEMBL6009255 0.92 CHRNA7 (0.57) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6008903 0.90 HTR3A (0.54) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6008956 0.84 CHRNA7 (0.37) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6008824 0.84 CHRNA7 (0.53) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6008895 0.83 CHRNA7 (0.54) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6007906 0.82 CHRNA7 (0.48) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6007771 0.80 CHRNA7 (0.56) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6007596 0.78 CHRNA7 (0.43) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6008979 0.76 CHRNA7 (0.39) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL5704884 0.76 HTR3A (0.69) HTR3ACHRNA7HTR3EHTR3BHTR3D

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-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US claimed