SCHEMBL8716987

SCHEMBL8716987

C[C@@H](c1ccc(O)cc1)C(N)N1CC[C@H](O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.43
GRIN1 Q05586 4/20 0.43
ADRA2A P08913 5/20 0.38
HTR2A P28223 5/20 0.38
ADRA1A P35348 5/20 0.38
HTR2B P41595 4/20 0.38
SIGMAR1 Q99720 3/20 0.38
GRIN2D O15399 2/20 0.38
HTR1A P08908 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2C Q14957 2/20 0.38
KCNH2 Q12809 2/20 0.38
LMNA P02545 1/20 0.38
ADRB1 P08588 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL8717613 0.88 DPP4 (0.35) GRIN2BGRIN1KCNH2DPP4DPP8
SCHEMBL8717426 0.88 DPP4 (0.40) GRIN2BGRIN1KCNH2LMNAOPRK1
SCHEMBL8717605 0.87 DPP4 (0.46) KCNH2DPP4DPP8DPP9DPP7
SCHEMBL8719795 0.87 DPP7 (0.43) SIGMAR1OPRK1DPP4DPP7
SCHEMBL6425485 0.87 KCNA3 (0.44) GRIN2BGRIN1OPRK1CYP2D6DPP4
SCHEMBL8720343 0.85 DPP4 (0.45) OPRK1DPP4DPP8DPP7
SCHEMBL8717438 0.83 DPP4 (0.48) KCNH2DPP4DPP8DPP7
SCHEMBL8719950 0.81 HPGD (0.40) LMNARAB9ACYP2D6ALDH1A1
SCHEMBL8719914 0.72 CHRM2 (0.40) OPRK1TSHRDPP4KDM4EMAPT
SCHEMBL8716985 0.71 HSD11B1 (0.42) SLC6A2DPP4DPP8DPP9DPP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569802-B1 Arylacetamides MERCK PATENT GMBH (DE) 1998-07-15 EP disclosed
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 EP disclosed