SCHEMBL6636698

SCHEMBL6636698

Cc1snc2cc(C(=O)N[C@H]3CN4CCC3CC4)ccc12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.58
HTR3A P46098 5/20 0.57
HTR3E A5X5Y0 4/20 0.57
HTR3B O95264 4/20 0.57
HTR3D Q70Z44 4/20 0.57
HTR3C Q8WXA8 4/20 0.57
CHRNB4 P30926 2/20 0.57
CHRNA3 P32297 2/20 0.57
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
CYP2D6 P10635 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
SCHEMBL6634206 0.91 HTR3A (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6634865 0.86 CHRNA7 (0.55) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6838839 0.85 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6846164 0.80 CHRNA7 (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6630574 0.80 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6634376 0.80 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6631603 0.80 CHRNA7 (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6629447 0.80 HTR3A (0.55) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6632414 0.80 CHRNA7 (0.40) CHRNA7HTR3A
SCHEMBL1459679 0.79 CHRNA7 (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404674-A2 QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 EP claimed
WO-2002100858-A2 QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO claimed
EP-1404674-A2 QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 EP disclosed
WO-2002100858-A2 QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO disclosed