SCHEMBL19669086

SCHEMBL19669086

O=C(Nc1ccccn1)N1c2nc(N3CCC[C@@H](C(F)(F)F)C3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.42
▸ DGAT2 Q96PD7 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ TRPV3 Q8NET8 1/20 0.38
▸ EIF2AK4 Q9P2K8 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ BTK Q06187 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ FGFR4 P22455 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL16754714 1.00 MAP4K4 (0.42) MAP4K4DGAT2TRPV1TRPV3EIF2AK4
SCHEMBL17778601 1.00 MAP4K4 (0.42) MAP4K4DGAT2TRPV1TRPV3EIF2AK4
SCHEMBL16249990 1.00 MAP4K4 (0.42) MAP4K4DGAT2TRPV1TRPV3EIF2AK4
SCHEMBL19365533 1.00 MAP4K4 (0.42) MAP4K4DGAT2TRPV1TRPV3EIF2AK4
SCHEMBL16754580 0.97 DGAT2 (0.41) MAP4K4DGAT2TRPV1TRPV3EIF2AK4
SCHEMBL16754489 0.97 DGAT2 (0.41) MAP4K4DGAT2TRPV1TRPV3EIF2AK4
SCHEMBL16754343 0.97 MAP4K4 (0.42) MAP4K4DGAT2TRPV1TRPV3EIF2AK4
SCHEMBL16754341 0.97 MAP4K4 (0.42) MAP4K4DGAT2TRPV1TRPV3EIF2AK4
SCHEMBL16754344 0.97 MAP4K4 (0.42) MAP4K4DGAT2TRPV1TRPV3EIF2AK4
SCHEMBL17778529 0.97 DGAT2 (0.41) MAP4K4DGAT2TRPV1TRPV3EIF2AK4

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 2 patents. 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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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