SCHEMBL6844342

SCHEMBL6844342

O=C(NC1CC2CCN1C2)c1cc2ccsc2cn1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.60
HTR3A P46098 7/20 0.57
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL6850966 0.91 CHRNA7 (0.72) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843303 0.84 CHRNA7 (0.84) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843304 0.84 CHRNA7 (0.84) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844245 0.84 CHRNA7 (0.84) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844081 0.80 CHRNA7 (0.76) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6844468 0.80 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6850910 0.79 CHRNA7 (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6848456 0.79 CHRNA7 (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849548 0.79 CHRNA7 (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849574 0.78 CHRNA7 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432707-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-06-30 EP claimed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO claimed
EP-1432707-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-06-30 EP disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO disclosed