SCHEMBL19670438

SCHEMBL19670438

CCN1CC[C@@H](C)N(C(=O)Nc2cc(OC)ncn2)c2nc(-c3cccc(N4CCC(F)(F)C4)c3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.36
▸ CREBBP Q92793 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ FGFR4 P22455 1/20 0.33
▸ RPS6KA2 Q15349 1/20 0.33
▸ ALOX5AP P20292 2/20 0.33
▸ MAP3K12 Q12852 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ MTOR P42345 1/20 0.31
▸ CACNA1H O95180 3/20 0.31
▸ FFAR4 Q5NUL3 2/20 0.31
▸ CNR2 P34972 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
SCHEMBL19670279 0.89 FAAH (0.38) FAAHCSNK1DCSNK1EFGFR4RPS6KA2
SCHEMBL19670182 0.87 CREBBP (0.34) CREBBPFGFR4ALOX5APMAP3K12IDH1
SCHEMBL17618537 0.85 FAAH (0.38) FAAHCREBBPCSNK1DCSNK1EFGFR4
SCHEMBL19670310 0.84 FAAH (0.38) FAAHCSNK1DCSNK1EFGFR4MTOR
SCHEMBL19670334 0.81 FGFR4 (0.36) FAAHFGFR4MAP3K12PDK1PDK2
SCHEMBL19670584 0.81 FAAH (0.41) FAAHCSNK1DCSNK1EFGFR4RPS6KA2
SCHEMBL19365757 0.80 FGFR4 (0.42) FAAHCREBBPCSNK1DCSNK1EFGFR4
SCHEMBL19365394 0.80 FAAH (0.39) FAAHCSNK1DCSNK1EFGFR4RPS6KA2
SCHEMBL19670631 0.80 FAAH (0.35) FAAHCSNK1DCSNK1EFGFR4RPS6KA2
SCHEMBL19365756 0.78 VCP (0.38) FAAHCREBBPMAP3K12IDH1CNR2

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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