SCHEMBL10074464

SCHEMBL10074464

CC(Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.49
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.46
GPR119 Q8TDV5 1/20 0.44
AAK1 Q2M2I8 1/20 0.42
PTPN1 P18031 1/20 0.42
TRPA1 O75762 1/20 0.41
RIPK1 Q13546 1/20 0.41
DPP4 P27487 2/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 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
SCHEMBL26076630 0.85 DPP4 (0.46) CTSSCTSKAAK1PTPN1TRPA1
SCHEMBL268952 0.85 PTPN1 (0.55) SCN9ACTSSCTSKPTPN1
SCHEMBL268951 0.85 PTPN1 (0.55) SCN9ACTSSCTSKPTPN1
SCHEMBL10054499 0.85 SCN9A (0.45) SCN9ACTSSCTSKGPR119AAK1
SCHEMBL10054507 0.85 SCN9A (0.45) SCN9ACTSSCTSKGPR119AAK1
SCHEMBL1509242 0.85 PTPN1 (0.55) SCN9ACTSSCTSKPTPN1
SCHEMBL12849500 0.85 SCN9A (0.45) SCN9ACTSSCTSKGPR119AAK1
SCHEMBL269302 0.84 CTSS (0.51) SCN9ACTSSCTSKGPR119PTPN1
SCHEMBL6874637 0.84 SCN9A (0.45) SCN9ACTSSCTSKGPR119AAK1
SCHEMBL269301 0.84 CTSS (0.51) SCN9ACTSSCTSKGPR119PTPN1

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
EP-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 EP disclosed