SCHEMBL6849530

SCHEMBL6849530

COC(=O)C#Cc1cc2cnc(C(=O)NC3CC4CCC3CC4)cc2s1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.37
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
PDGFRB P09619 3/20 0.31
PDGFRA P16234 3/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6844404 0.89 CHRNA7 (0.37) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6007404 0.85 CHRNA7 (0.49) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL844074 0.83 CHRNA7 (0.45) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6851237 0.81 CHRNA7 (0.46) CHRNA7HTR3A
SCHEMBL6849197 0.81 CHRNA7 (0.38) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6850864 0.79 CHRNA7 (0.36) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6006609 0.79 CHRNA7 (0.38) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6849604 0.79 CHRNA7 (0.33) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6848517 0.77 CHRNA7 (0.36) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6848484 0.75 CHRNA7 (0.39) CHRNA7HTR3EHTR3BHTR3AHTR3D

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-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP claimed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO claimed
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO disclosed