SCHEMBL6008949

SCHEMBL6008949

O=C(N[C@H]1CN2CCC1CC2)c1cc2c(C(=O)O)csc2cn1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.53
HTR3A P46098 7/20 0.53
HTR3E A5X5Y0 6/20 0.53
HTR3B O95264 6/20 0.53
HTR3D Q70Z44 6/20 0.53
HTR3C Q8WXA8 6/20 0.53
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45

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
SCHEMBL844096 0.95 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6008726 0.91 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6007705 0.90 CHRNA7 (0.51) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6008495 0.89 HTR3A (0.50) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6006218 0.88 CHRNA7 (0.49) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6008728 0.88 CHRNA7 (0.49) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6005615 0.88 CHRNA7 (0.49) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6008904 0.87 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5918024 0.87 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6007294 0.87 CHRNA7 (0.54) 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