SCHEMBL6850899

SCHEMBL6850899

O=C(NC1CC2CCN1C2)c1cc2c(C(=O)C(F)(F)F)csc2cn1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.41
HTR3A P46098 1/20 0.35
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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
SCHEMBL6851102 0.87 CHRNA7 (0.42) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL6844468 0.86 CHRNA7 (0.45) CHRNA7HTR3A
SCHEMBL842930 0.86 CHRNA7 (0.58) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL842929 0.86 CHRNA7 (0.58) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL6845229 0.86 CHRNA7 (0.41) CHRNA7HTR3A
SCHEMBL844159 0.85 CHRNA7 (0.40) CHRNA7HTR3A
SCHEMBL6850910 0.83 CHRNA7 (0.44) CHRNA7HTR3A
SCHEMBL6848456 0.83 CHRNA7 (0.44) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6849264 0.83 CHRNA7 (0.42) CHRNA7HTR3A
SCHEMBL6844656 0.83 CHRNA7 (0.39) CHRNA7HTR3A

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