SCHEMBL19669050

SCHEMBL19669050

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ MTOR P42345 4/20 0.32
▸ WNT3A P56704 2/20 0.32
▸ TRPV3 Q8NET8 1/20 0.32
▸ PTK2 Q05397 2/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ABL1 P00519 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
SCHEMBL19670234 0.89 FGFR4 (0.35) FGFR4BRD4
SCHEMBL19365462 0.86 FGFR4 (0.42) TRPV1FGFR4PRKCAGSK3BWNT3A
SCHEMBL19670220 0.85 ROCK2 (0.34) TRPV1MTORTRPV3BRD4
SCHEMBL17618590 0.85 TRPV1 (0.36) TRPV1FGFR4PRKCAGSK3BMTOR
SCHEMBL19670484 0.84 FAAH (0.37) FGFR4MTORWNT3APTK2BRD4
SCHEMBL19670246 0.84 SCN9A (0.39) TRPV1FGFR4MTOR
SCHEMBL19670420 0.83 HDAC2 (0.42) FGFR4MTORBRD4KDM4EALDH1A1
SCHEMBL19670365 0.83 VCP (0.37) FGFR4GSK3BTRPV3ABL1
SCHEMBL19670362 0.82 IRAK4 (0.39) —
SCHEMBL19365387 0.81 VCP (0.35) FGFR4PRKCAKDM4EALDH1A1HTT

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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