SCHEMBL5249204

SCHEMBL5249204

Brc1cnc2nc(N3CCN4CC[C@H]3C4)oc2c1

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.86
KCNH2 Q12809 6/20 0.86
CHRNA7 P36544 4/20 0.63
HRH3 Q9Y5N1 1/20 0.58
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47

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
SCHEMBL5249206 1.00 HTR3A (0.86) HTR3AKCNH2CHRNA7HRH3CHRM4
SCHEMBL5909668 1.00 HTR3A (0.86) HTR3AKCNH2CHRNA7HRH3CHRM4
Hydrochloric Acid SCHEMBL6006769 0.99 HTR3A (0.84) HTR3AKCNH2CHRNA7HRH3CHRM4
Hydrochloric Acid SCHEMBL6009359 0.99 HTR3A (0.84) HTR3AKCNH2CHRNA7HRH3CHRM4
Hydrochloric Acid SCHEMBL6009355 0.99 HTR3A (0.84) HTR3AKCNH2CHRNA7HRH3CHRM4
SCHEMBL4699143 0.93 HTR3A (1.00) HTR3AKCNH2CHRNA7HRH3CHRM4
SCHEMBL5305455 0.86 HTR3A (0.65) HTR3AKCNH2CHRNA7CHRM4CHRM5
SCHEMBL5305450 0.86 HTR3A (0.65) HTR3AKCNH2CHRNA7CHRM4CHRM5
SCHEMBL5245647 0.85 KCNH2 (0.86) HTR3AKCNH2CHRNA7CHRM4CHRM5
SCHEMBL5245653 0.85 KCNH2 (0.86) HTR3AKCNH2CHRNA7CHRM4CHRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006051410-A1 AZABENZOXAZOLES FOR THE TREATMENT OF CNS DISORDERS PFIZER INC. (US) 2006-05-18 WO claimed
EP-1831683-A1 METHODS OF MODULATING THE ACTIVITIES OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR Pfizer Products Inc. (US) 2007-09-12 EP disclosed
WO-2006067611-A1 METHODS OF MODULATING THE ACTIVITIES OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR PFIZER PRODUCTS INC. (US) 2006-06-29 WO disclosed