SCHEMBL6845229

SCHEMBL6845229

COC(=O)c1csc2cnc(C(=O)NC3CC4CCN3C4)cc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.41
HTR3A P46098 1/20 0.33
PDE9A O76083 1/20 0.32
MAP3K7 O43318 2/20 0.32
OPRK1 P41145 8/20 0.32
PTK2 Q05397 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
SCHEMBL6850899 0.86 CHRNA7 (0.41) CHRNA7HTR3A
SCHEMBL6844468 0.85 CHRNA7 (0.45) CHRNA7HTR3A
SCHEMBL6850918 0.84 CHRNA7 (0.43) CHRNA7HTR3A
SCHEMBL6849590 0.84 CHRNA7 (0.43) CHRNA7HTR3A
SCHEMBL6848456 0.84 CHRNA7 (0.44) CHRNA7HTR3A
SCHEMBL6850910 0.84 CHRNA7 (0.44) CHRNA7HTR3A
SCHEMBL6844533 0.83 CHRNA7 (0.44) CHRNA7HTR3A
SCHEMBL6849264 0.83 CHRNA7 (0.42) CHRNA7HTR3A
SCHEMBL6851281 0.83 CHRNA7 (0.41) CHRNA7HTR3APDE9A
SCHEMBL6848604 0.82 CHRNA7 (0.41) 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