SCHEMBL6635522

SCHEMBL6635522

O=C(NC1CC2CCN(C2)C1)c1ncc(F)c(Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.54
USP30 Q70CQ3 2/20 0.34
AURKA O14965 2/20 0.33
AURKB Q96GD4 2/20 0.33
MAP3K5 Q99683 2/20 0.33
HPGD P15428 1/20 0.33
BRD4 O60885 1/20 0.32
CHRM4 P08173 1/20 0.32
KCNH2 Q12809 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL6099455 1.00 CHRNA7 (0.54) CHRNA7USP30AURKAAURKBMAP3K5
SCHEMBL6099459 1.00 CHRNA7 (0.54) CHRNA7USP30AURKAAURKBMAP3K5
SCHEMBL6100836 0.94 CHRNA7 (0.46) CHRNA7USP30AURKAAURKBMAP3K5
SCHEMBL6634837 0.87 CHRNA7 (0.55) CHRNA7USP30
SCHEMBL6097044 0.87 CHRNA7 (0.55) CHRNA7USP30
SCHEMBL6097036 0.87 CHRNA7 (0.55) CHRNA7USP30
SCHEMBL6099218 0.86 CHRNA7 (0.54) CHRNA7USP30HPGDCHRM4
SCHEMBL6099210 0.86 CHRNA7 (0.54) CHRNA7USP30HPGDCHRM4
SCHEMBL6098178 0.86 CHRNA7 (0.51) CHRNA7
SCHEMBL6098174 0.86 CHRNA7 (0.51) CHRNA7

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-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO disclosed