SCHEMBL19670516

SCHEMBL19670516

C=Nc1cc(N=C)cc(-c2ccc3c(n2)N(C(=O)Nc2ccc(F)cn2)[C@H]2CCN3C2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 2/20 0.38
▸ DEGS1 O15121 3/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ NPY5R Q15761 1/20 0.32
▸ LPL P06858 1/20 0.32
▸ LIPC P11150 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ AKT1 P31749 1/20 0.31
▸ ITK Q08881 1/20 0.31
▸ GRM5 P41594 2/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ NTRK1 P04629 2/20 0.31
▸ AHR P35869 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 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
SCHEMBL17624582 0.93 SCD (0.35) SCDDEGS1FGFR4LPLLIPC
SCHEMBL19669073 0.90 SCD (0.37) SCDDEGS1FGFR4KCNH2HRH3
SCHEMBL17618391 0.86 SCD (0.41) SCDDEGS1NPY5RABL1
SCHEMBL17618519 0.85 SCD (0.43) SCDDEGS1NPY5RABL1GRM5
SCHEMBL17618376 0.84 GRM5 (0.39) SCDGRM5
SCHEMBL17618499 0.84 GRM5 (0.39) SCDGRM5
SCHEMBL17618541 0.84 SCD (0.38) SCDDEGS1FGFR4LPLLIPC
SCHEMBL17618513 0.84 HCRTR1 (0.42) SCDABL1GRM5HCRTR1
SCHEMBL17618679 0.83 SCD (0.38) SCDDEGS1FGFR4LPLLIPC
SCHEMBL17618548 0.83 VCP (0.37) SCDDEGS1FGFR4LPLLIPC

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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