SCHEMBL844552

SCHEMBL844552

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

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.67
HTR3A P46098 3/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
SMYD3 Q9H7B4 1/20 0.32
USP30 Q70CQ3 1/20 0.31
ABL1 P00519 1/20 0.31

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
SCHEMBL843298 1.00 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843297 1.00 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843266 0.91 CHRNA7 (0.68) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843267 0.91 CHRNA7 (0.68) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843727 0.87 CHRNA7 (0.71) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843728 0.87 CHRNA7 (0.71) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843048 0.86 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844072 0.86 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843535 0.86 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843500 0.86 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