SCHEMBL17778529

SCHEMBL17778529

O=C(Nc1ccccn1)N1c2nc(N3CCC(C(F)(F)F)C3)ccc2N2CCCC1C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ MAP4K4 O95819 3/20 0.40
▸ PDE10A Q9Y233 1/20 0.38
▸ GRM5 P41594 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ TRPV3 Q8NET8 2/20 0.36
▸ EIF2AK4 Q9P2K8 1/20 0.35
▸ MAP3K12 Q12852 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ LPL P06858 1/20 0.34
▸ LIPC P11150 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34

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
SCHEMBL16754580 1.00 DGAT2 (0.41) DGAT2TRPV1MAP4K4PDE10AGRM5
SCHEMBL16754489 1.00 DGAT2 (0.41) DGAT2TRPV1MAP4K4PDE10AGRM5
Hydrochloric Acid SCHEMBL16754569 0.99 DGAT2 (0.40) DGAT2TRPV1MAP4K4PDE10AGRM5
SCHEMBL17778601 0.97 MAP4K4 (0.42) DGAT2TRPV1MAP4K4PDE10AGRM5
SCHEMBL19365533 0.97 MAP4K4 (0.42) DGAT2TRPV1MAP4K4PDE10AGRM5
SCHEMBL16249990 0.97 MAP4K4 (0.42) DGAT2TRPV1MAP4K4PDE10AGRM5
SCHEMBL16754714 0.97 MAP4K4 (0.42) DGAT2TRPV1MAP4K4PDE10AGRM5
SCHEMBL19669086 0.97 MAP4K4 (0.42) DGAT2TRPV1MAP4K4PDE10AGRM5
SCHEMBL16754341 0.97 MAP4K4 (0.42) DGAT2TRPV1MAP4K4PDE10AGRM5
SCHEMBL16754343 0.97 MAP4K4 (0.42) DGAT2TRPV1MAP4K4PDE10AGRM5

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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