SCHEMBL19630974

SCHEMBL19630974

CC(=O)N[C@@H](CCCCN)C(=O)CF

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.52
▸ SIRT1 Q96EB6 1/20 0.52
▸ TLR2 O60603 2/20 0.45
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ FOLH1 Q04609 1/20 0.41
▸ ITGB3 P05106 4/20 0.40
▸ ITGA2B P08514 4/20 0.40
▸ PAOX Q6QHF9 2/20 0.39
▸ CTSK P43235 1/20 0.38
▸ CPA1 P15085 1/20 0.37
▸ CPA2 P48052 1/20 0.37
▸ CPA4 Q9UI42 1/20 0.37
▸ GNPAT O15228 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
SCHEMBL13998248 0.84 SIRT6 (0.57) SIRT6SIRT1TLR2CHRM2CHRM4
SCHEMBL21566740 0.84 SIRT6 (0.57) SIRT6SIRT1TLR2CHRM2CHRM4
SCHEMBL10050111 0.83 SIRT6 (0.52) SIRT6SIRT1TLR2CHRM2CHRM4
SCHEMBL14363444 0.83 SIRT6 (0.56) SIRT6SIRT1TLR2CHRM2CHRM4
SCHEMBL20435077 0.82 SIRT6 (0.58) SIRT6SIRT1TLR2CHRM2CHRM4
SCHEMBL12749404 0.82 SIRT6 (0.58) SIRT6SIRT1TLR2CHRM2CHRM4
SCHEMBL20435058 0.82 SIRT6 (0.58) SIRT6SIRT1TLR2CHRM2CHRM4
SCHEMBL20196381 0.81 SIRT6 (0.58) SIRT6SIRT1TLR2CHRM2CHRM4
SCHEMBL919220 0.80 FOLH1 (0.62) SIRT6SIRT1TLR2CA1CA2
SCHEMBL726302 0.80 SIRT6 (0.56) SIRT6SIRT1TLR2CHRM2CHRM4

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-2017201322-A1 TREATMENT OF OSTEOARTHRITIS WITH GINGIPAIN BLOCKING AGENTS Cortexyme, Inc. (US) 2017-11-23 — — WO disclosed
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