SCHEMBL7864247

SCHEMBL7864247

COC(=O)C1=C(c2cccc(-n3ccnc3)c2)NC(C)=C(C(=O)OC(C)C#Cc2cccnc2)C1CCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.34
PTGES O14684 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
PABPC1 P11940 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ABL1 P00519 1/20 0.31
PDGFRB P09619 1/20 0.31
BCR P11274 1/20 0.31
SRC P12931 1/20 0.31
PDGFRA P16234 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCD Q05655 1/20 0.31
PORCN Q9H237 3/20 0.31

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
SCHEMBL7872517 0.90 ADORA3 (0.38) ADORA3USP2MAPTMAPK1CASP1
SCHEMBL7873247 0.87 ADORA3 (0.41) ADORA3MAPTMAPK1
SCHEMBL7869546 0.85 ADORA3 (0.41) ADORA3MAPTMAPK1
SCHEMBL7876069 0.82 ADORA3 (0.39) ADORA3MAPK1PORCN
SCHEMBL7876028 0.81 ADORA3 (0.38) ADORA3MAPTMAPK1
SCHEMBL7871558 0.78 ADORA3 (0.43) ADORA3MAPTMAPK1
SCHEMBL7864235 0.76 ADORA3 (0.38) ADORA3MAPTMAPK1
SCHEMBL7873273 0.75 ADORA3 (0.39) ADORA3MAPTMAPK1
SCHEMBL7873224 0.73 ADORA3 (0.40) ADORA3MAPTMAPK1
SCHEMBL8144758 0.71 ADORA3 (0.39) ADORA3MAPTMAPK1

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-6306853-B1 DICARBOXYLIC ESTER DERIVATIVES OF DIHYDROPYRIDINE COMPOUNDS NIKKEN CHEMICALS CO., LTD. (JP) 2001-10-23 US disclosed
EP-1055672-A1 1,4-DIHYDROPYRIDINE DERIVATIVES Nikken Chemicals Company, Limited (JP) 2000-11-29 EP disclosed