SCHEMBL6850864

SCHEMBL6850864

COC(=O)C#Cc1cc2cnc(C(=O)NC3CC4CCC3CC4)cc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.36
HTR3A P46098 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
PDGFRB P09619 3/20 0.31
PDGFRA P16234 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
OPRK1 P41145 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
IDH1 O75874 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6849468 0.89 CHRNA7 (0.38) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6008901 0.85 HTR3A (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843906 0.83 CHRNA7 (0.49) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849745 0.81 CHRNA7 (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849156 0.81 CHRNA7 (0.39) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6007911 0.80 CHRNA7 (0.39) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6849530 0.79 CHRNA7 (0.37) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6848484 0.79 CHRNA7 (0.39) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6844277 0.78 CHRNA7 (0.41) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6844331 0.77 CHRNA7 (0.37) 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 2 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