SCHEMBL843500

SCHEMBL843500

Cc1cc2cnc(C(=O)N[C@@H]3CC4CCN(C4)C3)cc2s1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.70
HTR3A P46098 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
ABL1 P00519 2/20 0.37
CHRM4 P08173 2/20 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
SCHEMBL843728 0.88 CHRNA7 (0.71) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843727 0.88 CHRNA7 (0.71) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844060 0.88 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843447 0.88 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844059 0.88 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843446 0.88 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843048 0.88 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844200 0.88 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843535 0.88 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844199 0.88 CHRNA7 (0.70) 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 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 claimed