SCHEMBL19365749

SCHEMBL19365749

CCN1CCCN(C(=O)Nc2ccc(C)cc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ RAF1 P04049 4/20 0.40
▸ TRPV1 Q8NER1 3/20 0.40
▸ BRAF P15056 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ PLG P00747 2/20 0.38
▸ PLAU P00749 2/20 0.38
▸ PLAT P00750 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 2/20 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
SCHEMBL19670249 0.93 CA2 (0.42) CA2CA9DHODHRAF1TRPV1
SCHEMBL19365573 0.88 CA2 (0.39) CA2CA9RAF1BRAFCHRM4
SCHEMBL19670123 0.88 TRPA1 (0.37) CA2CA9CNR1RAF1BRAF
SCHEMBL19365407 0.87 MEN1 (0.49) TRPV1MEN1POLBKMT2A
SCHEMBL19670366 0.86 NAMPT (0.42) CA2CA9RAF1BRAFCHRM4
SCHEMBL17624670 0.86 CA2 (0.39) CA2CA9RAF1BRAFCHRM4
SCHEMBL19706277 0.86 CA2 (0.39) CA2CA9CNR1RAF1BRAF
SCHEMBL19364921 0.86 KIF18A (0.38) CA2CA9RAF1BRAFCHRM4
SCHEMBL17623988 0.85 NPC1 (0.37) CA2CA9RAF1BRAFCHRM4
SCHEMBL19699078 0.85 NAMPT (0.42) CA2CA9RAF1BRAFCHRM4

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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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