SCHEMBL7706552

SCHEMBL7706552

CC(=O)c1cc(Sc2ccc(C(=O)NC3CN4CCC3CC4)cc2)ccn1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.66
HTR3A P46098 5/20 0.54
HTR3E A5X5Y0 4/20 0.54
HTR3B O95264 4/20 0.54
HTR3D Q70Z44 4/20 0.54
HTR3C Q8WXA8 4/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CYP2D6 P10635 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL6882795 1.00 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6882869 0.89 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6882631 0.87 CHRNA7 (0.62) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6878865 0.87 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6882784 0.87 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6882767 0.86 CHRNA7 (0.64) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6882647 0.86 CHRNA7 (0.80) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6882259 0.85 CHRNA7 (0.62) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6880981 0.84 CHRNA7 (0.64) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6879836 0.84 CHRNA7 (0.64) 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
WO-2002016357-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed