SCHEMBL6849652

SCHEMBL6849652

CC1CC2CCN1CC2NC(=O)c1ccc2sccc2n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 0.42
HTR3A P46098 7/20 0.42
HTR3E A5X5Y0 4/20 0.42
HTR3B O95264 4/20 0.42
HTR3D Q70Z44 4/20 0.42
HTR3C Q8WXA8 4/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42

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
SCHEMBL6849654 0.91 CHRNA7 (0.38) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849553 0.84 CHRNA7 (0.43) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6006730 0.83 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6006144 0.83 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849481 0.82 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849548 0.82 CHRNA7 (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL6008651 0.82 CHRNA7 (0.59) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844508 0.82 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6006716 0.81 CHRNA7 (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849552 0.80 CHRNA7 (0.48) 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