SCHEMBL4585111

SCHEMBL4585111

CC1CN(c2ccc(S(C)(=O)=O)c(F)c2)CCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 11/20 0.48
▸ NR1H3 Q13133 11/20 0.48
▸ CHRM2 P08172 3/20 0.43
▸ CHRM1 P11229 2/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ CHRM5 P08912 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ CHRM4 P08173 1/20 0.41
▸ FAAH O00519 2/20 0.41

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
SCHEMBL4573024 0.87 NR1H2 (0.42) NR1H2NR1H3CHRM4FAAH
SCHEMBL4573185 0.85 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL4573190 0.85 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL25205050 0.81 CHRM2 (0.45) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL25182095 0.81 CHRM2 (0.45) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL25205047 0.81 CHRM2 (0.45) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL31111518 0.81 CHRM2 (0.57) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL4573282 0.81 HSD11B1 (0.45) HSD11B1CHRM4
SCHEMBL19096975 0.80 CHRM2 (0.43) NR1H2NR1H3CHRM2CHRM1CHRM5
SCHEMBL17375398 0.80 CHRM2 (0.43) NR1H2NR1H3CHRM2CHRM1CHRM5

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
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