SCHEMBL842963

SCHEMBL842963

O=C(O)C#Cc1csc2cnc(C(=O)NC3CN4CCC3C4)cc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.44
HTR3A P46098 6/20 0.44
HTR3E A5X5Y0 5/20 0.44
HTR3B O95264 5/20 0.44
HTR3D Q70Z44 5/20 0.44
HTR3C Q8WXA8 5/20 0.44
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37

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
SCHEMBL6006617 0.95 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844433 0.92 CHRNA7 (0.43) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843320 0.91 CHRNA7 (0.42) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843233 0.90 CHRNA7 (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844084 0.88 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844282 0.88 CHRNA7 (0.43) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843995 0.88 CHRNA7 (0.43) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843927 0.88 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843969 0.88 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843827 0.87 CHRNA7 (0.42) 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
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP claimed