SCHEMBL21739046

SCHEMBL21739046

CC(C)(C)OC(=O)N1C2CCC1CC(N1CCCC1)C2

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 4/20 0.66
▸ CHRM2 P08172 2/20 0.66
▸ CHRM3 P20309 1/20 0.66
▸ PREP P48147 4/20 0.58
▸ HPGD P15428 1/20 0.44
▸ HSD11B1 P28845 1/20 0.41
▸ EPHX1 P07099 1/20 0.39
▸ KAT2B Q92831 1/20 0.39
▸ GPR119 Q8TDV5 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28564603 1.00 CHRM1 (0.66) CHRM1CHRM2CHRM3PREPHPGD
SCHEMBL28564604 1.00 CHRM1 (0.66) CHRM1CHRM2CHRM3PREPHPGD
SCHEMBL24700254 0.98 CHRM1 (0.64) CHRM1CHRM2CHRM3PREPHPGD
SCHEMBL25890368 0.88 CHRM1 (0.62) CHRM1CHRM2CHRM3PREPHPGD
SCHEMBL30534558 0.88 CHRM1 (0.62) CHRM1CHRM2CHRM3PREPHPGD
SCHEMBL18235300 0.86 CHRM1 (0.60) CHRM1CHRM2CHRM3PREPHPGD
SCHEMBL4479232 0.85 CHRM2 (0.59) CHRM1CHRM2CHRM3PREPHPGD
SCHEMBL22341040 0.84 CHRM2 (0.71) CHRM1CHRM2CHRM3PREPHPGD
SCHEMBL26251587 0.84 CHRM2 (0.71) CHRM1CHRM2CHRM3PREPHPGD
SCHEMBL24700394 0.83 CHRM2 (0.47) CHRM1CHRM2CHRM3PREPHPGD

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-2020035464-A1 NOVEL SULFONAMIDEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2020-02-20 — — WO disclosed
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