SCHEMBL6845196

SCHEMBL6845196

O=C(NC1CC2CCN1C2)c1cc2sc(C#CCO)cc2cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.45
HTR3A P46098 3/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
USP30 Q70CQ3 1/20 0.32
TTK P33981 2/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31

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
SCHEMBL6850917 0.89 CHRNA7 (0.46) CHRNA7HTR3ACHRNB2CHRNA4USP30
SCHEMBL6844402 0.88 CHRNA7 (0.48) CHRNA7HTR3ACHRNB2CHRNA4USP30
SCHEMBL6849331 0.87 CHRNA7 (0.45) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6851286 0.86 CHRNA7 (0.48) CHRNA7HTR3ACHRNB2CHRNA4USP30
SCHEMBL6851237 0.85 CHRNA7 (0.46) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6849574 0.83 CHRNA7 (0.50) CHRNA7HTR3ACHRNB2CHRNA4USP30
SCHEMBL6849360 0.82 CHRNA7 (0.49) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6848418 0.82 CHRNA7 (0.49) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6848871 0.82 CHRNA7 (0.47) CHRNA7HTR3ACHRNB2CHRNA4USP30
SCHEMBL6009015 0.81 CHRNA7 (0.40) CHRNA7HTR3ACHRNB2CHRNA4HTR3E

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