SCHEMBL19365465

SCHEMBL19365465

O=C(Nc1ccccn1)N1c2nc(-c3cc(F)cc(C(F)(F)F)c3)ccc2N2CCC21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ FAAH O00519 1/20 0.37
▸ VCP P55072 1/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ PHGDH O43175 2/20 0.34
▸ XPO1 O14980 2/20 0.34
▸ AR P10275 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE10A Q9Y233 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
SCHEMBL19365464 1.00 TRPV1 (0.39) TRPV1TRPM8FAAHVCPUBE2M
SCHEMBL19670319 0.92 FAAH (0.42) TRPV1FAAHVCPCACNA1HCACNA1C
SCHEMBL19364826 0.92 FAAH (0.42) TRPV1FAAHVCPCACNA1HCACNA1C
SCHEMBL19670325 0.86 GSK3B (0.39) TRPV1FAAHVCPCACNA1HCACNA1C
SCHEMBL19365582 0.86 GSK3B (0.39) TRPV1FAAHVCPCACNA1HCACNA1C
SCHEMBL17624487 0.85 TRPV1 (0.40) TRPV1TRPM8FAAHVCPUBE2M
SCHEMBL17624593 0.85 TRPV1 (0.40) TRPV1TRPM8PHGDHMEN1HTT
SCHEMBL19365553 0.84 CNR2 (0.42) TRPV1FAAHMEN1HTTKMT2A
SCHEMBL19365560 0.84 CNR2 (0.42) TRPV1FAAHMEN1HTTKMT2A
SCHEMBL19365401 0.82 MALT1 (0.40) FAAHCACNA1HJAK2NTRK1

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