SCHEMBL20755609

SCHEMBL20755609

IOC1CCCC(CN2CCCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ ACHE P22303 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ HRH3 Q9Y5N1 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
SCHEMBL20755340 0.77 CHRM5 (0.46) CHRM5ADRA2CACHESMN1; SMN2
SCHEMBL3637083 0.75 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL22810422 0.75 CHRM5 (0.56) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL1564103 0.73 CHRM5 (0.90) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL3611455 0.73 CHRM5 (0.90) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL12714723 0.72 CHRM5 (0.58) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL12716928 0.72 CHRM5 (0.58) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL22699693 0.72 CHRM5 (0.58) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL14508369 0.71 CHRM5 (0.56) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL1827882 0.70 CHRM5 (0.94) CHRM5ADRA2CACHESMN1; SMN2HRH3

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-2019036384-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 — — WO disclosed
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