SCHEMBL8328228

SCHEMBL8328228

CCCCCC1C(C(=O)O)=C(C)NC(c2ccc(-n3c(C)nc4ncccc43)cc2)=C1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.44
TRPV1 Q8NER1 3/20 0.44
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 4/20 0.36
TMIGD3 P0DMS9 2/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
HPGD P15428 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
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
SCHEMBL7873250 0.85 ADORA3 (0.37) ADORA3TRPV1MAPTTP53ALDH1A1
SCHEMBL8323648 0.85 ADORA3 (0.45) ADORA3TRPV1ALDH1A1TMIGD3KDM4E
SCHEMBL8330375 0.84 ADORA3 (0.42) ADORA3TRPV1
SCHEMBL8323291 0.82 ADORA3 (0.43) ADORA3TRPV1
SCHEMBL8327248 0.79 ADORA3 (0.68) ADORA3TRPV1TP53ALDH1A1TMIGD3
SCHEMBL8327956 0.78 ADORA3 (0.49) ADORA3TRPV1MAPTALDH1A1TMIGD3
SCHEMBL8325950 0.77 ADORA3 (0.46) ADORA3TRPV1MAPTTP53ALDH1A1
SCHEMBL7873236 0.77 ADORA3 (0.40) ADORA3TRPV1MAPTALDH1A1TMIGD3
SCHEMBL8327558 0.77 ADORA3 (0.54) ADORA3TRPV1MAPTTP53ALDH1A1
SCHEMBL8325990 0.75 ADORA3 (0.44) ADORA3TRPV1MAPTTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943615-A1 1,4-DIHYDROPYRIDINE DERIVATIVES Nikken Chemicals Company, Limited (JP) 1999-09-22 EP disclosed