SCHEMBL7704099

SCHEMBL7704099

CC(=O)Nc1cnc(Sc2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc2)o1.N#Cc1cnc(Sc2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc2)o1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.52
HTR3A P46098 4/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL6882169 0.92 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL6884886 0.92 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL6873808 0.81 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL6881016 0.81 CHRNA7 (0.63) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL6882107 0.80 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL6878880 0.80 CHRNA7 (0.62) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL6880483 0.79 CHRNA7 (0.59) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL6883601 0.79 CHRNA7 (0.63) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL6881596 0.78 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL6880402 0.78 CHRNA7 (0.64) CHRNA7HTR3AHTR3EHTR3BALOX15

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