SCHEMBL19670351

SCHEMBL19670351

OC(Nc1ccccn1)N1c2nc(N3CCCC(C(F)(F)F)C3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.43
▸ TRPV3 Q8NET8 2/20 0.40
▸ EIF2AK4 Q9P2K8 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.35
▸ PRCP P42785 3/20 0.33
▸ ACACB O00763 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ BTK Q06187 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
SCHEMBL19670500 1.00 MAP4K4 (0.43) MAP4K4TRPV3EIF2AK4PDE10ADGAT2
SCHEMBL19670506 0.92 MAP4K4 (0.46) MAP4K4TRPV3EIF2AK4PDE10APRCP
SCHEMBL19670672 0.92 MAP4K4 (0.46) MAP4K4TRPV3EIF2AK4PDE10APRCP
SCHEMBL19670582 0.89 MAP4K4 (0.42) MAP4K4TRPV3EIF2AK4PRCPACACB
SCHEMBL19706103 0.88 PRKCQ (0.32) MAP4K4PDE10ADGAT2BTK
SCHEMBL19670634 0.85 MAP4K4 (0.39) MAP4K4TRPV3EIF2AK4SCN10ABTK
SCHEMBL19670401 0.85 MAP4K4 (0.39) MAP4K4TRPV3EIF2AK4SCN10ABTK
SCHEMBL19669086 0.82 MAP4K4 (0.42) MAP4K4TRPV3EIF2AK4PDE10ADGAT2
SCHEMBL19365533 0.82 MAP4K4 (0.42) MAP4K4TRPV3EIF2AK4PDE10ADGAT2
SCHEMBL16249990 0.82 MAP4K4 (0.42) MAP4K4TRPV3EIF2AK4PDE10ADGAT2

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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