SCHEMBL2451698

SCHEMBL2451698

CNc1nccc(N2CCC[C@H]2C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.40
CDK8 P49336 7/20 0.40
HRH4 Q9H3N8 12/20 0.40
HRH3 Q9Y5N1 4/20 0.38
PIK3C3 Q8NEB9 1/20 0.37

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
SCHEMBL15360083 0.79 MKNK1 (0.46) HRH4
SCHEMBL1318963 0.79 TNNI3K (0.36) CCNCCDK8PIK3C3
SCHEMBL23073683 0.70 TRPA1 (0.55) PIK3C3
SCHEMBL1317272 0.69 ADORA1 (0.34)
SCHEMBL4555915 0.68 PLD1 (0.41) PIK3C3
SCHEMBL15360082 0.68 HRH4 (0.50) CCNCCDK8HRH4HRH3
SCHEMBL16622459 0.68 HRH4 (0.64) CCNCCDK8HRH4HRH3
SCHEMBL9891829 0.68 HRH4 (0.37) CCNCCDK8HRH4HRH3
SCHEMBL28137564 0.67 PDE10A (0.40) PIK3C3
SCHEMBL13619336 0.67 HRH4 (0.66) HRH4HRH3

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-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed