SCHEMBL14900046

SCHEMBL14900046

C=N[C@@H](Cc1cscn1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR142 Q7Z601 3/20 0.38
▸ SLC6A3 Q01959 5/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CAPN1 P07384 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ DPP4 P27487 2/20 0.36
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 2/20 0.36
▸ PKM P14618 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9565308 0.79 KDM4E (0.44) GPR142SLC6A3KDM4ECAPN1FOLH1
SCHEMBL14280926 0.78 GPR142 (0.37) GPR142SLC6A3KDM4ECAPN1FOLH1
SCHEMBL990478 0.75 DPP4 (0.49) GPR142SLC6A3KDM4EDPP4DPP8
SCHEMBL22193474 0.75 GPR142 (0.40) GPR142SLC6A3KDM4ECAPN1FOLH1
SCHEMBL990477 0.75 DPP4 (0.49) GPR142SLC6A3KDM4EDPP4DPP8
SCHEMBL6897379 0.75 GPR142 (0.40) GPR142SLC6A3KDM4ECAPN1FOLH1
SCHEMBL6897376 0.75 GPR142 (0.40) GPR142SLC6A3KDM4ECAPN1FOLH1
SCHEMBL5535517 0.75 GPR142 (0.40) GPR142SLC6A3KDM4ECAPN1FOLH1
SCHEMBL14561302 0.75 GPR142 (0.40) GPR142SLC6A3KDM4ECAPN1FOLH1
SCHEMBL5907044 0.75 DPP4 (0.49) GPR142SLC6A3KDM4EDPP4DPP8

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-1948678-B1 Compounds for enzyme inhibition ONYX THERAPEUTICS INC (US) 2013-05-01 — — EP disclosed
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