SCHEMBL10179952

SCHEMBL10179952

COc1ccc(C(O)C(N)C(=O)N2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
MMP13 P45452 1/20 0.50
ADAM17 P78536 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
DPP7 Q9UHL4 7/20 0.46
DPP4 P27487 6/20 0.46
ALOX5 P09917 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TP53 P04637 1/20 0.45
PREP P48147 1/20 0.45
MAPT P10636 2/20 0.44
DPP8 Q6V1X1 1/20 0.44

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
SCHEMBL365418 1.00 HPGD (0.51) HPGDKMT2AMEN1MMP1MMP3
SCHEMBL13267430 1.00 HPGD (0.51) HPGDKMT2AMEN1MMP1MMP3
SCHEMBL12324842 1.00 HPGD (0.51) HPGDKMT2AMEN1MMP1MMP3
SCHEMBL371088 1.00 HPGD (0.51) HPGDKMT2AMEN1MMP1MMP3
Hydrochloric Acid SCHEMBL295178 0.99 HPGD (0.50) HPGDKMT2AMEN1MMP1MMP3
SCHEMBL3299190 0.84 HPGD (0.50) HPGDHTTALDH1A1DPP7DPP4
SCHEMBL3300519 0.84 HPGD (0.50) HPGDHTTALDH1A1DPP7DPP4
SCHEMBL368344 0.84 HPGD (0.50) HPGDHTTALDH1A1DPP7DPP4
SCHEMBL3303393 0.84 HPGD (0.50) HPGDHTTALDH1A1DPP7DPP4
SCHEMBL10301471 0.84 HPGD (0.50) HPGDHTTALDH1A1DPP7DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841743-B1 3-Aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic and/or immuno stimulant activity ALLERGAN INC (US) 2016-01-20 EP disclosed
EP-2474534-B1 3-Aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic and/or immunostimulant activity ALLERGAN INC (US) 2015-07-29 EP disclosed
EP-2489658-A1 3-Heteroaryl-3-hydroxy-2-amino-propyl amines and related compounds having analgesic and/or immuno stimulant activity Allergan, Inc. (US) 2012-08-22 EP disclosed
EP-2474534-A1 3-Aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic and/or immunostimulant activity Allergan, Inc. (US) 2012-07-11 EP disclosed