SCHEMBL6848646

SCHEMBL6848646

O=C(NC1CC2CCN1C2)c1cc2c(NC(=O)C(F)(F)F)coc2cn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.42
HTR3A P46098 3/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
SMYD3 Q9H7B4 1/20 0.30

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
SCHEMBL844189 0.86 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844190 0.86 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849605 0.86 CHRNA7 (0.45) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849526 0.85 CHRNA7 (0.43) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6848560 0.85 CHRNA7 (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6844694 0.84 CHRNA7 (0.43) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849537 0.84 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844159 0.82 CHRNA7 (0.40) CHRNA7HTR3A
SCHEMBL6851034 0.82 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6009133 0.81 CHRNA7 (0.37) 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 2 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