SCHEMBL6634837

SCHEMBL6634837

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.55
USP30 Q70CQ3 3/20 0.34
ACKR3 P25106 1/20 0.31
HTR3A P46098 2/20 0.31
GRM5 P41594 1/20 0.31
PBK Q96KB5 1/20 0.31
CNR1 P21554 1/20 0.31
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
SLC6A12 P48065 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
SCHEMBL6097044 1.00 CHRNA7 (0.55) CHRNA7USP30ACKR3HTR3AGRM5
SCHEMBL6097036 1.00 CHRNA7 (0.55) CHRNA7USP30ACKR3HTR3AGRM5
SCHEMBL6099991 0.94 CHRNA7 (0.47) CHRNA7USP30ACKR3HTR3AHTR3E
SCHEMBL6099455 0.87 CHRNA7 (0.54) CHRNA7USP30
SCHEMBL6099459 0.87 CHRNA7 (0.54) CHRNA7USP30
SCHEMBL6635522 0.87 CHRNA7 (0.54) CHRNA7USP30
SCHEMBL6101015 0.87 CHRNA7 (0.56) CHRNA7USP30ACKR3CNR1
SCHEMBL6101020 0.87 CHRNA7 (0.56) CHRNA7USP30ACKR3CNR1
SCHEMBL6633313 0.87 CHRNA7 (0.56) CHRNA7USP30ACKR3CNR1
SCHEMBL6635268 0.84 CHRNA7 (0.51) CHRNA7HTR3AHTR3EHTR3BHTR3D

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