SCHEMBL19670279

SCHEMBL19670279

CCN1CC[C@@H](C)N(C(=O)Nc2cc(OC)ncn2)c2nc(-c3cccc(N4CC[C@H](F)C4)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.38
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ FGFR4 P22455 1/20 0.34
▸ FFAR4 Q5NUL3 4/20 0.33
▸ LRRK2 Q5S007 3/20 0.33
▸ RPS6KA2 Q15349 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ NEK2 P51955 1/20 0.30

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
SCHEMBL19365394 0.91 FAAH (0.39) FAAHCSNK1DCSNK1EFGFR4FFAR4
SCHEMBL19670631 0.89 FAAH (0.35) FAAHCSNK1DCSNK1EFGFR4LRRK2
SCHEMBL19670438 0.89 FAAH (0.36) FAAHCSNK1DCSNK1EFGFR4FFAR4
SCHEMBL19670310 0.86 FAAH (0.38) FAAHCSNK1DCSNK1EFGFR4
SCHEMBL17618531 0.86 FAAH (0.40) FAAHCSNK1DCSNK1EFGFR4FFAR4
SCHEMBL17618558 0.86 FAAH (0.40) FAAHCSNK1DCSNK1EFGFR4FFAR4
SCHEMBL19365442 0.85 FAAH (0.37) FAAHCSNK1DCSNK1EFGFR4LRRK2
SCHEMBL19670584 0.82 FAAH (0.41) FAAHCSNK1DCSNK1EFGFR4RPS6KA2
SCHEMBL19365384 0.81 FGFR4 (0.43) FAAHCSNK1DCSNK1EFGFR4FFAR4
SCHEMBL19365725 0.80 FGFR4 (0.37) FAAHCSNK1DCSNK1EFGFR4LRRK2

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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