SCHEMBL7701612

SCHEMBL7701612

COc1csc(Oc2ccc(C(=O)NC3CN4CCC3CC4)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.54
HTR3E A5X5Y0 3/20 0.54
HTR3B O95264 3/20 0.54
HTR3A P46098 3/20 0.54
HTR3D Q70Z44 3/20 0.54
HTR3C Q8WXA8 3/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
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
SCHEMBL6878456 1.00 CHRNA7 (0.54) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6303743 0.95 CHRNA7 (0.47) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6882698 0.90 CHRNA7 (0.56) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6882406 0.89 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6878944 0.87 CHRNA7 (0.64) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7698136 0.86 CHRNA7 (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6883342 0.86 CHRNA7 (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL373704 0.86 CHRNA7 (0.64) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6305182 0.85 CHRNA7 (0.38) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6310757 0.85 CHRNA7 (0.48) CHRNA7MEN1KMT2A

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