SCHEMBL7706657

SCHEMBL7706657

COc1cnc(Oc2ccc(C(=O)NC3CN4CCC3CC4)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52

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
SCHEMBL6883948 1.00 CHRNA7 (0.52) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6882027 0.92 CHRNA7 (0.52) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL7597490 0.88 CHRNA7 (0.61) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6883916 0.86 CHRNA7 (0.52) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6874735 0.86 CHRNA7 (0.61) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL7047279 0.85 CHRNA7 (0.55) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6883309 0.85 CHRNA7 (0.57) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6880936 0.85 CHRNA7 (0.50) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL7059133 0.84 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6883512 0.84 CHRNA7 (0.52) CHRNA7HTR3EHTR3BALOX15TSHR

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