SCHEMBL6356592

SCHEMBL6356592

CCC(C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)O)N1C=CSC(C(C)C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
SDCBP O00560 1/20 0.35
SDC2 P34741 1/20 0.35
LTA4H P09960 2/20 0.35
PYGL P06737 1/20 0.35
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
REN P00797 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
SCHEMBL6349228 0.94 MEN1 (0.39) MEN1KMT2AMAPTMMESDCBP
SCHEMBL6349375 0.89 LTA4H (0.37) MMELTA4HPYGLLMNATDP1
SCHEMBL6347591 0.83 MME (0.40) MEN1KMT2AMAPTMMEACE
SCHEMBL6347587 0.83 MME (0.40) MEN1KMT2AMAPTMMEACE
SCHEMBL6352185 0.82 BACE1 (0.37) MMELTA4HPYGLLMNA
SCHEMBL6356999 0.80 MAPT (0.46) MEN1KMT2AMAPTLMNATDP1
SCHEMBL6357003 0.80 MAPT (0.46) MEN1KMT2AMAPTLMNATDP1
SCHEMBL6347832 0.77 MME (0.33) MEN1KMT2AMAPTMME
SCHEMBL6347829 0.77 MME (0.33) MEN1KMT2AMAPTMME
SCHEMBL6348128 0.77 MEN1 (0.39) MEN1KMT2AMAPTMMEACE

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
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