SCHEMBL6631465

SCHEMBL6631465

O=C(NC1CC2CCN(C2)C1)c1ccc(O)c(Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.59
CNR1 P21554 3/20 0.36
HSD11B1 P28845 2/20 0.36
PRKAA2 P54646 2/20 0.36
GRM5 P41594 2/20 0.36
MLLT3 P42568 1/20 0.35
MLLT1 Q03111 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6100771 1.00 CHRNA7 (0.59) CHRNA7CNR1HSD11B1PRKAA2GRM5
SCHEMBL6100767 1.00 CHRNA7 (0.59) CHRNA7CNR1HSD11B1PRKAA2GRM5
SCHEMBL6100500 0.94 CHRNA7 (0.51) CHRNA7HSD11B1PRKAA2GRM5MLLT3
SCHEMBL6100835 0.87 CHRNA7 (0.61) CHRNA7CNR1HSD11B1PRKAA2GRM5
SCHEMBL6100828 0.87 CHRNA7 (0.61) CHRNA7CNR1HSD11B1PRKAA2GRM5
SCHEMBL6635518 0.86 CHRNA7 (0.59) CHRNA7CNR1HSD11B1PRKAA2GRM5
SCHEMBL6098653 0.86 CHRNA7 (0.59) CHRNA7CNR1HSD11B1PRKAA2GRM5
SCHEMBL6098659 0.86 CHRNA7 (0.59) CHRNA7CNR1HSD11B1PRKAA2GRM5
SCHEMBL6098953 0.84 CHRNA7 (0.55) CHRNA7PRKAA2
SCHEMBL6101356 0.84 CHRNA7 (0.55) 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