SCHEMBL6844601

SCHEMBL6844601

CC1CC2CN1CC2NC(=O)c1cc2sc3ccccc3c2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.38
HTR3E A5X5Y0 3/20 0.37
HTR3B O95264 3/20 0.37
HTR3A P46098 3/20 0.37
HTR3D Q70Z44 3/20 0.37
HTR3C Q8WXA8 3/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 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
SCHEMBL6849742 0.92 CHRNA7 (0.42) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6006669 0.82 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5917798 0.82 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6007820 0.82 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL6009196 0.81 CHRNA7 (0.56) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL843068 0.81 CHRNA7 (0.51) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6849173 0.79 CHRNA7 (0.56) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6006745 0.77 CHRNA7 (0.43) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL843136 0.77 GABRP (0.39) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6849317 0.77 CHRNA7 (0.52) CHRNA7HTR3EHTR3BHTR3AHTR3D

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