SCHEMBL11535880

SCHEMBL11535880

CC(=O)NC(CCCN)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ PAOX Q6QHF9 4/20 0.38
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ ODC1 P11926 1/20 0.32
▸ TLR2 O60603 1/20 0.32
▸ GSR P00390 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM1 P11229 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
SCHEMBL11533680 0.81 CYP2C9 (0.37) SIRT6SIRT1DPP4DPP8DPP9
SCHEMBL11536898 0.76 ALOX15 (0.34) SIRT6SIRT1PAOXCHRM2CHRM4
SCHEMBL11230702 0.74 PLA2G2C (0.40) DPP4DPP8DPP9
SCHEMBL11532872 0.73 PLA2G2C (0.39) SIRT6SIRT1PAOXDPP4DPP8
SCHEMBL11539434 0.73 CPB2 (0.45) SIRT6SIRT1DPP8DPP9DPP7
SCHEMBL24520157 0.71 SIRT6 (0.50) SIRT6SIRT1PAOXCA1CA2
SCHEMBL159460 0.71 GNPAT (0.55) SIRT6SIRT1CPB2CA1CA2
SCHEMBL159459 0.71 GNPAT (0.55) SIRT6SIRT1CPB2CA1CA2
SCHEMBL13072059 0.71 PLA2G2C (0.44) SIRT6SIRT1PAOXDPP4DPP8
SCHEMBL159461 0.71 GNPAT (0.55) SIRT6SIRT1CPB2CA1CA2

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
US-4134918-A ENZYME INHIBITORS, ANTIBODY INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-01-16 — — US disclosed
Send feedback