SCHEMBL6850811

SCHEMBL6850811

O=C(NC1CC2CCC1CC2)c1cc2oc(C(=O)OCC(F)(F)F)cc2cn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CNR2 P34972 16/20 0.35

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
SCHEMBL6008395 0.86 CHRNA7 (0.52) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL6849156 0.86 CHRNA7 (0.39) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL6844331 0.84 CHRNA7 (0.37) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL6844277 0.83 CHRNA7 (0.41) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL6007579 0.80 CHRNB2 (0.40) CHRNA7HTR3ACNR2
SCHEMBL6850944 0.80 CNR2 (0.37) CHRNA7CNR2
SCHEMBL6848361 0.79 GPBAR1 (0.39) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL6848991 0.75 GABRA1 (0.35) CNR2
SCHEMBL6849468 0.73 CHRNA7 (0.38) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL6850864 0.73 CHRNA7 (0.36) HTR3EHTR3BCHRNA7HTR3AHTR3D

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