SCHEMBL19670371

SCHEMBL19670371

CN1CCCN(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.44
▸ PTPRB P23467 1/20 0.40
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ RORC P51449 5/20 0.39
▸ MAPT P10636 2/20 0.38
▸ PPARA Q07869 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ CCKBR P32239 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL19670366 0.91 NAMPT (0.42) NAMPTPTPRBCA2CA9RORC
SCHEMBL19699078 0.90 NAMPT (0.42) NAMPTPTPRBCA2CA9RORC
SCHEMBL19365537 0.87 CA2 (0.43) CA2CA9MAPTFAAHLMNA
SCHEMBL16776455 0.86 NAMPT (0.43) NAMPTPTPRBCA2CA9RORC
SCHEMBL16776180 0.86 NAMPT (0.42) NAMPTPTPRBCA2CA9RORC
SCHEMBL19365540 0.84 CA2 (0.38) NAMPTCA2CA9MAPTUSP2
SCHEMBL19670654 0.83 CA2 (0.42) CA2CA9RORCMAPTLMNA
SCHEMBL19365797 0.83 TP53 (0.38) CA2CA9FAAHUSP2POLB
SCHEMBL19670369 0.82 NAMPT (0.41) NAMPTPTPRBCA2CA9RORC
SCHEMBL16250024 0.82 NAMPT (0.41) NAMPTPTPRBCA2CA9RORC

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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