SCHEMBL28465611

SCHEMBL28465611

FC1CCN(C[CH]N2CCCCC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.33
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 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
SCHEMBL5233749 0.82 CHRNB2 (0.41) HRH3CHRM5ADRA2CCHRNB2CHRNB4
SCHEMBL5466976 0.82 CHRNB2 (0.41) HRH3CHRM5ADRA2CCHRNB2CHRNB4
SCHEMBL5721027 0.77 HRH3 (0.39) HRH3
SCHEMBL13895170 0.73
SCHEMBL18082807 0.70 HRH3 (0.48) HRH3CHRM5ADRA2C
SCHEMBL5454740 0.70 HRH3 (0.36) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6780002 0.70 MC4R (0.36)
SCHEMBL5071750 0.69
SCHEMBL14931661 0.69 CARM1 (0.31)
SCHEMBL4959156 0.69 SIGMAR1 (0.35) HRH3ADRA2C

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
CN-111683950-A AhR modulators 伊迪亚生物科学有限公司 2020-09-18 CN disclosed