SCHEMBL6007906

SCHEMBL6007906

O=C(N[C@H]1CN2CCC1CC2)c1cc2cc(C#CCN3CCNCC3)sc2cn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.48
HTR3A P46098 6/20 0.48
HTR3E A5X5Y0 4/20 0.48
HTR3B O95264 4/20 0.48
HTR3D Q70Z44 4/20 0.48
HTR3C Q8WXA8 4/20 0.48
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
SIK1 P57059 1/20 0.38
SIK2 Q9H0K1 1/20 0.38
SIK3 Q9Y2K2 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
SCHEMBL6009247 0.92 CHRNA7 (0.50) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6007781 0.90 CHRNA7 (0.50) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6007537 0.90 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6007970 0.84 CHRNA7 (0.47) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6007596 0.83 CHRNA7 (0.43) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6008912 0.82 HTR3A (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6008556 0.80 CHRNA7 (0.51) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6008895 0.78 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6007270 0.76 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844155 0.76 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BHTR3D

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