SCHEMBL19669047

SCHEMBL19669047

O=C(Nc1ccccn1)N1c2nc(-c3cnc4c(c3)OC(F)(F)O4)ccc2N2CC[C@H]1C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.35
▸ CHRM4 P08173 1/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ FAAH O00519 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ MTOR P42345 2/20 0.31
▸ SCD O00767 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
SCHEMBL16238195 0.90 KIT (0.39) TRPV1GSK3BDYRK1AVCPFAAH
SCHEMBL16775748 0.84 GSK3B (0.37) TRPV1GSK3BDYRK1AVCPFAAH
SCHEMBL19670187 0.83 MTOR (0.36) TRPV1GSK3BDYRK1AFAAHNTRK1
SCHEMBL19361197 0.82 FAAH (0.43) TRPV1VCPFAAHNTRK1MEN1
SCHEMBL17618605 0.82 GSK3B (0.38) TRPV1CHRM4GSK3BDYRK1AVCP
SCHEMBL17618388 0.82 VCP (0.43) TRPV1CHRM4VCPFAAHJAK2
SCHEMBL19689743 0.82 SCD (0.40) TRPV1CHRM4GSK3BDYRK1AFAAH
SCHEMBL17618594 0.82 FAAH (0.43) TRPV1CHRM4GSK3BDYRK1AVCP
SCHEMBL17618510 0.82 PIK3CA (0.41) TRPV1GSK3BDYRK1AVCPFAAH
SCHEMBL17618566 0.82 TRPV1 (0.40) TRPV1DYRK1ACYP2C19PIK3CAABL1

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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