SCHEMBL19670375

SCHEMBL19670375

C[C@@H]1CCN(C)c2ccc(-c3ccnc(C(F)(F)F)c3)nc2N1C(=O)Nc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.41
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ AR P10275 1/20 0.37
▸ SCN9A Q15858 2/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 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
SCHEMBL19365276 0.88 WNT3A (0.41) TRPV1GSK3BDYRK1APTGS1PTGS2
SCHEMBL19365445 0.88 TRPM8 (0.43) TRPV1GSK3BDYRK1AARTRPM8
SCHEMBL19365613 0.86 FAAH (0.40) TRPV1GSK3BDYRK1APTGS1PTGS2
SCHEMBL19670623 0.86 KARS1 (0.38) TRPV1GSK3BDYRK1AAR
SCHEMBL19670149 0.85 FGFR4 (0.39) GSK3BKIT
SCHEMBL19670150 0.85 IRAK4 (0.40) TRPV1GSK3BSCN9ACYP1A2HTR2A
SCHEMBL19365317 0.85 GSK3B (0.39) TRPV1GSK3BDYRK1APTGS1PTGS2
SCHEMBL19670498 0.84 KARS1 (0.41) TRPV1GSK3BDYRK1APTGS1PTGS2
SCHEMBL19670374 0.84 TRPV1 (0.48) TRPV1ARSCN9ATRPM8PTGS1
SCHEMBL19670377 0.83 CRACR2A (0.35) TRPV3CCNA2CDK2CCNA1MTOR

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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