SCHEMBL8523663

SCHEMBL8523663

CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)O)C1CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.42
TRPV1 Q8NER1 1/20 0.38
PTAFR P25105 1/20 0.38

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
SCHEMBL8325678 0.89 ADORA3 (0.42) ADORA3TRPV1
SCHEMBL8323291 0.89 ADORA3 (0.43) ADORA3TRPV1
SCHEMBL8523478 0.89 ADORA3 (0.43) ADORA3
SCHEMBL8326446 0.88 ADORA3 (0.46) ADORA3TRPV1
SCHEMBL8330375 0.88 ADORA3 (0.42) ADORA3TRPV1
SCHEMBL8325990 0.87 ADORA3 (0.44) ADORA3TRPV1
SCHEMBL8328477 0.85 ADORA3 (0.39) ADORA3TRPV1
SCHEMBL8326807 0.84 ADORA3 (0.38) ADORA3TRPV1
SCHEMBL8326915 0.84 ADORA3 (0.41) ADORA3
SCHEMBL8328175 0.83 ADORA3 (0.38) ADORA3TRPV1

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