SCHEMBL17778528

SCHEMBL17778528

FC(F)(F)C1CCN(c2ccc3c(n2)NC2CCCN3C2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 6/20 0.46
▸ TRPV3 Q8NET8 3/20 0.40
▸ EIF2AK4 Q9P2K8 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.36
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL16754566 1.00 MAP4K4 (0.46) MAP4K4TRPV3EIF2AK4PDE10APSEN1
SCHEMBL16237499 0.96 MAP4K4 (0.49) MAP4K4TRPV3EIF2AK4PDE10APSEN1
SCHEMBL20632886 0.96 MAP4K4 (0.49) MAP4K4TRPV3EIF2AK4PDE10APSEN1
SCHEMBL16249992 0.96 MAP4K4 (0.49) MAP4K4TRPV3EIF2AK4PDE10APSEN1
SCHEMBL17778379 0.96 MAP4K4 (0.49) MAP4K4TRPV3EIF2AK4PDE10APSEN1
SCHEMBL16754630 0.94 MAP4K4 (0.47) MAP4K4TRPV3EIF2AK4PDE10AHRH3
SCHEMBL17618336 0.89 MAP4K4 (0.49) MAP4K4TRPV3EIF2AK4PDE10APSEN1
SCHEMBL19670116 0.84 CASP1 (0.34) MAP4K4PDE10ADGAT2HRH3
SCHEMBL16776499 0.82 MAP4K4 (0.45) MAP4K4TRPV3EIF2AK4PDE10APSEN1
SCHEMBL16776503 0.82 MAP4K4 (0.45) MAP4K4TRPV3EIF2AK4PDE10APSEN1

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
WO-2016079711-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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