SCHEMBL17778316

SCHEMBL17778316

O=C(Nc1ccccn1)N1c2nc(N3CCC(C(F)(F)F)C3)ccc2N2CCC1C2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.42
▸ MAP4K4 O95819 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.37
▸ MAP3K12 Q12852 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ TRPM8 Q7Z2W7 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LPL P06858 1/20 0.36
▸ LIPC P11150 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL19669097 1.00 TRPV1 (0.42) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL16754579 1.00 TRPV1 (0.42) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL16754431 1.00 TRPV1 (0.42) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL16754642 1.00 TRPV1 (0.42) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL16754535 0.96 TRPV1 (0.42) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL17778529 0.96 DGAT2 (0.41) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL16754489 0.96 DGAT2 (0.41) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL16754580 0.96 DGAT2 (0.41) TRPV1MAP4K4PDE10ADGAT2MAP3K12
SCHEMBL16754341 0.96 MAP4K4 (0.42) TRPV1MAP4K4PDE10ADGAT2TRPV3
SCHEMBL16754343 0.96 MAP4K4 (0.42) TRPV1MAP4K4PDE10ADGAT2TRPV3

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-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO disclosed
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