SCHEMBL6635166

SCHEMBL6635166

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.48
USP30 Q70CQ3 4/20 0.33
BRD4 O60885 1/20 0.32
PAK1 Q13153 1/20 0.32
CNR2 P34972 2/20 0.31
ACKR3 P25106 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGDS O60760 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
SCHEMBL6099174 1.00 CHRNA7 (0.48) CHRNA7USP30BRD4PAK1CNR2
SCHEMBL6099170 1.00 CHRNA7 (0.48) CHRNA7USP30BRD4PAK1CNR2
SCHEMBL6099627 0.94 CHRNA7 (0.41) CHRNA7USP30BRD4CNR2ACKR3
SCHEMBL6636524 0.88 CHRNA7 (0.51) CHRNA7USP30KMT2A
SCHEMBL6100591 0.88 CHRNA7 (0.51) CHRNA7USP30KMT2A
SCHEMBL6100593 0.88 CHRNA7 (0.51) CHRNA7USP30KMT2A
SCHEMBL6634932 0.85 CHRNA7 (0.48) CHRNA7USP30
SCHEMBL6099035 0.85 CHRNA7 (0.48) CHRNA7USP30
SCHEMBL6099045 0.85 CHRNA7 (0.48) CHRNA7USP30
SCHEMBL6635522 0.84 CHRNA7 (0.54) CHRNA7USP30BRD4KCNH2

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