SCHEMBL843870

SCHEMBL843870

COc1nc(C(=O)N[C@@H]2CC3CCN(C3)C2)cc2sccc12

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.68
HTR3A P46098 2/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CSNK2A2 P19784 2/20 0.35
CSNK2B P67870 2/20 0.35
CSNK2A1 P68400 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
SCHEMBL843838 1.00 CHRNA7 (0.68) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL843839 1.00 CHRNA7 (0.68) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL842136 0.87 CHRNA7 (0.68) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL842137 0.87 CHRNA7 (0.68) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL843480 0.85 CHRNA7 (0.61) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL843481 0.85 CHRNA7 (0.61) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL843862 0.85 CHRNA7 (0.68) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL843863 0.85 CHRNA7 (0.68) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL843180 0.85 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL843179 0.85 CHRNA7 (0.65) 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 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