SCHEMBL6351176

SCHEMBL6351176

CCC(C(N)=O)N(CC(=O)c1ccccc1)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 5/20 0.41
MAPT P10636 3/20 0.41
AGTR1 P30556 1/20 0.41
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CES1 P23141 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.37
EGFR P00533 2/20 0.36
PGR P06401 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL6345185 0.88 KDM4E (0.45) KDM4EALDH1A1USP2KMT2AMAPT
SCHEMBL6350920 0.86 ALDH1A1 (0.41) TRPM8KDM4EALDH1A1USP2KMT2A
SCHEMBL6349644 0.85 KDM4E (0.40) TRPM8KDM4EALDH1A1USP2KMT2A
SCHEMBL6358138 0.84 TRPM8 (0.51) TRPM8KDM4EALDH1A1USP2KMT2A
SCHEMBL6349239 0.82 POLB (0.38) TRPM8KDM4EALDH1A1USP2KMT2A
SCHEMBL6347134 0.82 TRPM8 (0.44) TRPM8KDM4EALDH1A1USP2KMT2A
SCHEMBL6354208 0.79 ALDH1A1 (0.43) TRPM8KDM4EALDH1A1USP2KMT2A
SCHEMBL6347856 0.79 ALDH1A1 (0.43) TRPM8KDM4EALDH1A1USP2KMT2A
SCHEMBL6347733 0.79 ALDH1A1 (0.43) TRPM8KDM4EALDH1A1USP2KMT2A
SCHEMBL2333269 0.78 ALDH1A1 (0.44) KDM4EALDH1A1USP2KMT2AMAPT

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