SCHEMBL6848484

SCHEMBL6848484

COC(=O)C#Cc1coc2cnc(C(=O)NC3CC4CCC3CC4)cc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.39
HTR3A P46098 3/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
OPRK1 P41145 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL6849498 0.90 CHRNA7 (0.41) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6008544 0.85 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL842807 0.84 CHRNA7 (0.53) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6848274 0.82 CHRNA7 (0.40) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849604 0.81 CHRNA7 (0.33) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849592 0.81 CHRNA7 (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6007764 0.79 CHRNA7 (0.38) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6006764 0.79 CHRNA7 (0.38) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6850864 0.79 CHRNA7 (0.36) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6844292 0.78 CHRNA7 (0.42) 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-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