SCHEMBL6849531

SCHEMBL6849531

CC1CC2CN1CC2NC(=O)c1cc2cccnc2o1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.41
POLB P06746 1/20 0.40
HTR3A P46098 2/20 0.39
UGCG Q16739 2/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37

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
SCHEMBL6849376 0.91 CHRNA7 (0.46) CHRNA7HTR3AUGCGCHRNB2CHRNA4
SCHEMBL6008657 0.80 CHRNA7 (0.65) CHRNA7HTR3AUGCG
SCHEMBL6008770 0.80 CHRNA7 (0.65) CHRNA7HTR3AUGCG
SCHEMBL842326 0.80 CHRNA7 (0.59) CHRNA7HTR3AUGCG
Hydrochloric Acid SCHEMBL6008611 0.79 CHRNA7 (0.64) CHRNA7HTR3AUGCG
SCHEMBL6849649 0.77 CHRNA7 (0.55) CHRNA7HTR3A
SCHEMBL6008407 0.76 CHRNB2 (0.51) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL844002 0.75 POLB (0.38) CHRNA7POLBHTR3ACHRNB2CHRNA4
SCHEMBL6851118 0.73 CHRNA7 (0.43) CHRNA7HTR3A
SCHEMBL842687 0.72 POLB (0.37) CHRNA7POLBHTR3ACHRNB2CHRNA4

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-1432707-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-06-30 EP claimed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO claimed
EP-1432707-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-06-30 EP disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO disclosed