SCHEMBL5490001

SCHEMBL5490001

N=C(N)NCCC[C@@H](NC(N)=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.45
FOLH1 Q04609 7/20 0.41
GNPAT O15228 1/20 0.38
NOD1 Q9Y239 2/20 0.38
SHMT1 P34896 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPY4R P50391 3/20 0.35
NPY1R P25929 2/20 0.35
NPY2R P49146 2/20 0.35
NPY5R Q15761 2/20 0.35
RIMKLA Q8IXN7 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL1765043 1.00 C3AR1 (0.45) C3AR1FOLH1GNPATNOD1SHMT1
SCHEMBL1765039 1.00 C3AR1 (0.45) C3AR1FOLH1GNPATNOD1SHMT1
SCHEMBL12971304 0.91 C3AR1 (0.43) C3AR1FOLH1GNPATNOD1SHMT1
SCHEMBL29005731 0.91 C3AR1 (0.43) C3AR1FOLH1GNPATNOD1SHMT1
SCHEMBL21095440 0.90 C3AR1 (0.42) C3AR1FOLH1GNPATNOD1SHMT1
SCHEMBL27864032 0.90 C3AR1 (0.42) C3AR1FOLH1GNPATNOD1SHMT1
Guanidine SCHEMBL28238974 0.88 C3AR1 (0.41) C3AR1FOLH1GNPATNOD1SHMT1
SCHEMBL5497852 0.87 C3AR1 (0.55) C3AR1FOLH1GNPATNOD1SHMT1
SCHEMBL5497855 0.87 C3AR1 (0.55) C3AR1FOLH1GNPATNOD1SHMT1
SCHEMBL6026003 0.87 FOLH1 (0.49) C3AR1FOLH1GNPATNOD1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1376202-A Stereostructure of decarbamylase and use thereof KANEGAFUCHI CHEMICAL IND (JP) 2002-10-23 CN claimed
EP-1209234-A1 STEREOSTRUCTURE OF DECARBAMYLASE AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2002-05-29 EP claimed
EP-1616945-B1 Process for producing D-N-carbamoyl-alpha-amino acids KANEGAFUCHI CHEMICAL IND (JP) 2007-11-21 EP disclosed
EP-0801131-B1 PROCESS FOR PRODUCING D-N-CARBAMOYL-ALPHA-AMINO ACID KANEGAFUCHI CHEMICAL IND (JP) 2007-02-21 EP disclosed
EP-1616945-A1 Process for producing D-N-carbamoyl-alpha-amino acids KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2006-01-18 EP disclosed
EP-1616946-A1 Process for producing D-N-carbamoyl-alpha-amino acids KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2006-01-18 EP disclosed
CN-1376202-A Stereostructure of decarbamylase and use thereof KANEGAFUCHI CHEMICAL IND (JP) 2002-10-23 CN disclosed
EP-1209234-A1 STEREOSTRUCTURE OF DECARBAMYLASE AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2002-05-29 EP disclosed
EP-0801131-A1 PROCESS FOR PRODUCING D-N-CARBAMOYL-$g(a)-AMINO ACID Kanegafuchi Chemical Industry Co., Ltd. (JP) 1997-10-15 EP disclosed