SCHEMBL6850992

SCHEMBL6850992

CC1CC2CN1CC2NC(=O)c1cnc2ccsc2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.43
HTR3A P46098 3/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
NTRK1 P04629 1/20 0.37
HPGDS O60760 4/20 0.35

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
SCHEMBL6849552 0.91 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6848787 0.83 CHRNA7 (0.43) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6007848 0.80 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6007588 0.80 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6849173 0.79 CHRNA7 (0.56) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6849317 0.79 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6849654 0.79 CHRNA7 (0.38) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL843214 0.79 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BCHRNB4
Hydrochloric Acid SCHEMBL6008224 0.79 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6006215 0.76 CHRNA7 (0.44) CHRNA7HTR3AHTR3EHTR3BCHRNB4

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