SCHEMBL6904706

SCHEMBL6904706

COC(=O)CC(c1ccc(C#N)cc1)N(C(=O)OC(C)C)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
KCNA5 P22460 5/20 0.41
F2R P25116 1/20 0.32
MAPT P10636 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DPP4 P27487 1/20 0.32
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
TSHR P16473 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7473573 1.00 HTT (0.44) HTTKCNA5F2RMAPTCHRNB2
SCHEMBL7470788 1.00 HTT (0.44) HTTKCNA5F2RMAPTCHRNB2
SCHEMBL6914071 0.88 KCNA5 (0.34) HTTKCNA5MAPTL3MBTL1RAB9A
SCHEMBL7478762 0.88 KCNA5 (0.34) HTTKCNA5MAPTL3MBTL1RAB9A
SCHEMBL7479753 0.88 KCNA5 (0.34) HTTKCNA5MAPTL3MBTL1RAB9A
SCHEMBL6910809 0.86 L3MBTL1 (0.36) KCNA5MAPTL3MBTL1RAB9AMEN1
SCHEMBL5970095 0.86 L3MBTL1 (0.36) KCNA5MAPTL3MBTL1RAB9AMEN1
SCHEMBL6911944 0.86 RAB9A (0.38) L3MBTL1RAB9AMEN1KMT2A
SCHEMBL7482080 0.86 RAB9A (0.38) L3MBTL1RAB9AMEN1KMT2A
SCHEMBL7481704 0.86 RAB9A (0.38) L3MBTL1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028125-B1 Dipeptide compounds having fungicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2004-01-28 EP claimed
EP-1028125-A1 Dipeptide compounds having fungicidal activity and their agronomic use Isagro Ricerca S.r.l. (IT) 2000-08-16 EP claimed
EP-1028125-B1 Dipeptide compounds having fungicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2004-01-28 EP disclosed
US-6448228-B1 FUNCTIONALIZED OLIGOPEPTIDE HAVING HIGH FUNGICIDAL ACTIVITY; ONE OR TWO ALIPHATIC AMINO ACIDS SUCH AS VALINE, LEUCINE AND ISOLEUCINE, CONJUGATED TO ONE OR TWO AROMATIC AMINO ACIDS, SUCH AS PHENYL-GLYCINE, PHENYLALANINE AND BETA-PHENYLALANINE ISAGRO RICERCA S.R.L. (IT) 2002-09-10 US disclosed
EP-1028125-A1 Dipeptide compounds having fungicidal activity and their agronomic use Isagro Ricerca S.r.l. (IT) 2000-08-16 EP disclosed