SCHEMBL19365445

SCHEMBL19365445

C[C@@H]1CCN(C)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2N1C(=O)Nc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ TRPV1 Q8NER1 10/20 0.42
▸ EPHX2 P34913 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ PHGDH O43175 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ MCHR1 Q99705 2/20 0.36
▸ AR P10275 1/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL19365613 0.90 FAAH (0.40) TRPV1GSK3BDYRK1APTGS1PTGS2
SCHEMBL19670375 0.88 TRPV1 (0.41) TRPM8TRPV1GSK3BDYRK1AAR
SCHEMBL19670374 0.86 TRPV1 (0.48) TRPM8TRPV1ARPTGS1PTGS2
SCHEMBL19365426 0.86 GSK3B (0.41) TRPV1KCNH2GSK3BDYRK1APTGS1
SCHEMBL19670150 0.84 IRAK4 (0.40) TRPV1KCNH2GSK3B
SCHEMBL16776480 0.84 TRPM8 (0.42) TRPM8TRPV1EPHX2KCNH2CACNA1C
SCHEMBL19365276 0.84 WNT3A (0.41) TRPV1GSK3BDYRK1APTGS1PTGS2
SCHEMBL19365317 0.84 GSK3B (0.39) TRPV1GSK3BDYRK1APTGS1PTGS2
SCHEMBL19670528 0.83 GSK3B (0.40) TRPV1GSK3BDYRK1APTGS1PTGS2
SCHEMBL19670162 0.82 TRPV1 (0.39) TRPM8TRPV1PHGDHGSK3BDYRK1A

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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