SCHEMBL19365573

SCHEMBL19365573

CCN1CCCCN(C(=O)Nc2ccc(CNC(C)=O)cc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ELANE P08246 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SYK P43405 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36

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
SCHEMBL19699078 0.91 NAMPT (0.42) CA2CA9ELANEKDM4ELMNA
SCHEMBL19670366 0.89 NAMPT (0.42) CA2CA9ELANECHRM4CHRM5
SCHEMBL19670249 0.89 CA2 (0.42) CA2CA9KDM4EALDH1A1KDM4C
SCHEMBL19365749 0.88 CA2 (0.42) CA2CA9LMNACHRM4CHRM5
SCHEMBL19865035 0.87 CA2 (0.37) CA2CA9ELANELMNATRPV4
SCHEMBL17624670 0.82 CA2 (0.39) CA2CA9CHRM4CHRM5CHRM1
SCHEMBL19670123 0.82 TRPA1 (0.37) CA2CA9CHRM4CHRM5CHRM1
SCHEMBL19365407 0.81 MEN1 (0.49) —
SCHEMBL19670572 0.81 LMNA (0.35) CA2CA9LMNAMAPTTP53
SCHEMBL19706277 0.80 CA2 (0.39) CA2CA9LMNACHRM4CHRM5

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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