SCHEMBL8326446

SCHEMBL8326446

CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)O)C1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.46
TRPV1 Q8NER1 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8325990 0.92 ADORA3 (0.44) ADORA3TRPV1SIRT2SIRT1MEN1
SCHEMBL8325678 0.88 ADORA3 (0.42) ADORA3TRPV1
SCHEMBL8323291 0.88 ADORA3 (0.43) ADORA3TRPV1
SCHEMBL8523663 0.88 ADORA3 (0.42) ADORA3TRPV1
SCHEMBL8330375 0.87 ADORA3 (0.42) ADORA3TRPV1
SCHEMBL7864225 0.87 ADORA3 (0.41) ADORA3
SCHEMBL8328477 0.85 ADORA3 (0.39) ADORA3TRPV1
SCHEMBL8523478 0.85 ADORA3 (0.43) ADORA3
SCHEMBL8328175 0.84 ADORA3 (0.38) ADORA3TRPV1
SCHEMBL9727055 0.84 PTAFR (0.42) ADORA3

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