SCHEMBL7709600

SCHEMBL7709600

O=C(NC1CN2CCC1CC2)c1ccc(Sc2cc(C(F)(F)F)sn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.60
HTR3A P46098 6/20 0.54
HTR3E A5X5Y0 5/20 0.54
HTR3B O95264 5/20 0.54
HTR3D Q70Z44 5/20 0.54
HTR3C Q8WXA8 5/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
CYP2D6 P10635 1/20 0.45

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
SCHEMBL6884843 1.00 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6884742 0.85 CHRNA7 (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6882822 0.85 CHRNA7 (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6883750 0.83 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6873998 0.83 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6873853 0.83 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6882815 0.82 CHRNA7 (0.59) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6880095 0.81 CHRNA7 (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6884933 0.81 CHRNA7 (0.41) CHRNA7
SCHEMBL7697119 0.81 CHRNA7 (0.55) 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 claimed