SCHEMBL6359360

SCHEMBL6359360

COCC(=O)N(CC(=O)c1ccccc1)[C@@H](C(N)=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
TRPM8 Q7Z2W7 4/20 0.36
AGTR1 P30556 2/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL6350685 1.00 KMT2A (0.38) KMT2ANPC1MEN1TRPM8AGTR1
SCHEMBL6347935 0.90 KMT2A (0.39) KMT2ANPC1MEN1AGTR1POLB
SCHEMBL6359182 0.90 KMT2A (0.39) KMT2ANPC1MEN1AGTR1POLB
SCHEMBL6350601 0.84 KMT2A (0.42) KMT2ANPC1MEN1TRPM8AGTR1
SCHEMBL6354208 0.82 ALDH1A1 (0.43) KMT2ANPC1MEN1TRPM8AGTR1
SCHEMBL6350864 0.82 TRPM8 (0.47) KMT2AMEN1TRPM8AGTR1KDM4E
SCHEMBL6347733 0.82 ALDH1A1 (0.43) KMT2ANPC1MEN1TRPM8AGTR1
SCHEMBL6359179 0.82 TRPM8 (0.47) KMT2AMEN1TRPM8AGTR1KDM4E
SCHEMBL6347856 0.82 ALDH1A1 (0.43) KMT2ANPC1MEN1TRPM8AGTR1
SCHEMBL6357950 0.82 ALDH1A1 (0.48) KMT2ANPC1MEN1TRPM8AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960575-B2 For use as inhibitors of chymase SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-6713472-B1 2-OXO-1,2,3,4-TETRAHYDROPYRAZINE DERIVATIVES; CHYMASE INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-03-30 US disclosed
EP-1211249-A1 NOVEL THIAZINE OR PYRAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-05 EP disclosed