SCHEMBL843709

SCHEMBL843709

Cn1ccc2cc(C(=O)N[C@@H]3CC4CCN(C4)C3)ncc21

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.64
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
KDM5A P29375 1/20 0.40
PIK3CB P42338 1/20 0.37
CHRM4 P08173 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
ABL1 P00519 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
SCHEMBL844511 1.00 CHRNA7 (0.64) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL844510 1.00 CHRNA7 (0.64) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL843321 0.82 CHRNA7 (0.56) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6005932 0.81 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6006344 0.81 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL8342492 0.81 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL6228749 0.80 CHRNA7 (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL6006554 0.80 CHRNA7 (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6098148 0.80 CHRNA7 (0.65) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6098144 0.80 CHRNA7 (0.65) 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 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 disclosed