SCHEMBL6007645

SCHEMBL6007645

c1cnc2nc(N3CCN4CC[C@H]3C4)oc2c1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.85
CHRNA7 P36544 4/20 0.85
HRH3 Q9Y5N1 1/20 0.56
KCNH2 Q12809 5/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55

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
SCHEMBL5332678 1.00 HTR3A (0.85) HTR3ACHRNA7HRH3KCNH2CHRM4
SCHEMBL5332674 1.00 HTR3A (0.85) HTR3ACHRNA7HRH3KCNH2CHRM4
Hydrochloric Acid SCHEMBL6006772 0.99 HTR3A (0.83) HTR3ACHRNA7HRH3KCNH2CHRM4
SCHEMBL4699052 0.92 HTR3A (1.00) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL5247514 0.80 HTR3A (0.85) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL5247520 0.80 HTR3A (0.85) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL5909648 0.80 CHRNA7 (0.55) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL5909647 0.80 CHRNA7 (0.55) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL5251450 0.79 HTR3A (0.58) HTR3ACHRNA7HRH3KCNH2
SCHEMBL5251454 0.79 HTR3A (0.58) HTR3ACHRNA7HRH3KCNH2

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 1 patent. 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 disclosed