SCHEMBL19670365

SCHEMBL19670365

C[C@@H]1CCN(C)c2ccc(-c3cccc(N4CCCC4)c3)nc2N1C(=O)Nc1ccc(F)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.36
▸ F10 P00742 4/20 0.36
▸ ABL1 P00519 3/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ FGFR4 P22455 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ DEGS1 O15121 2/20 0.34
▸ KIT P10721 1/20 0.34
▸ JAK2 O60674 1/20 0.33

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
SCHEMBL19365287 0.92 VCP (0.35) VCPF10FGFR4HCRTR2GRM5
SCHEMBL19365387 0.92 VCP (0.35) VCPF10FGFR4HCRTR2GRM5
SCHEMBL19365431 0.90 IDH1 (0.34) VCPF10FGFR4HCRTR2GSK3B
SCHEMBL19365294 0.89 VCP (0.35) VCPF10GSK3BDYRK1A
SCHEMBL19670153 0.88 VCP (0.41) VCPTRPV3FGFR4GRM5GSK3B
SCHEMBL19670246 0.87 SCN9A (0.39) FGFR4HCRTR2HCRTR1
SCHEMBL19365745 0.87 DHFR (0.38) VCPTRPV3ABL1GSK3BDYRK1A
SCHEMBL19365269 0.87 KARS1 (0.45) TRPV3ABL1GSK3BDYRK1AJAK2
SCHEMBL19670420 0.86 HDAC2 (0.42) FGFR4
SCHEMBL19364877 0.86 TRPV3 (0.38) TRPV3ABL1CNR1GSK3BDYRK1A

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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