SCHEMBL3839201

SCHEMBL3839201

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 2/20 0.43
OPRD1 P41143 1/20 0.39
SLC1A5 Q15758 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
CYP1A2 P05177 1/20 0.36
IDO1 P14902 1/20 0.36
GPR142 Q7Z601 3/20 0.35
SLC6A3 Q01959 1/20 0.34
CAPN1 P07384 1/20 0.34
FOLH1 Q04609 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PKM P14618 2/20 0.33
ALPI P09923 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 1/20 0.33
SLC7A5 Q01650 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
SCHEMBL990478 0.86 DPP4 (0.49) DPP4DPP8DPP9OPRD1CYP1A2
SCHEMBL990477 0.86 DPP4 (0.49) DPP4DPP8DPP9OPRD1CYP1A2
SCHEMBL5907044 0.86 DPP4 (0.49) DPP4DPP8DPP9OPRD1CYP1A2
Hydrochloric Acid SCHEMBL10867215 0.85 DPP4 (0.48) DPP4DPP8DPP9OPRD1CYP1A2
Hydrochloric Acid SCHEMBL7300435 0.85 DPP4 (0.48) DPP4DPP8DPP9OPRD1CYP1A2
Hydrochloric Acid SCHEMBL5733961 0.85 DPP4 (0.48) DPP4DPP8DPP9OPRD1CYP1A2
Hydrochloric Acid SCHEMBL5733967 0.85 DPP4 (0.48) DPP4DPP8DPP9OPRD1CYP1A2
SCHEMBL19699150 0.81 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL3783139 0.81 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL21299168 0.81 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88

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-1542716-B1 GROWTH HORMONE RELEASING PEPTIDES IPSEN PHARMA (FR) 2009-11-04 EP disclosed