SCHEMBL17778340

SCHEMBL17778340

O=C(NCC(F)(F)F)c1ncc2c(n1)N(C(=O)c1ccccn1)[C@H]1CCN2C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.37
▸ AXL P30530 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ DPP4 P27487 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
SCHEMBL20550680 0.87 TRPV1 (0.40) CTSSAXLHTT
SCHEMBL17778342 0.83 L3MBTL1 (0.40) HTTL3MBTL1EPHX2
SCHEMBL17769634 0.82 TRPV1 (0.39) CTSSHTT
SCHEMBL17778339 0.82 MEN1 (0.38) L3MBTL1EPHX2HTR1AADRA1A
SCHEMBL20550415 0.78 JAK2 (0.35) CTSS
SCHEMBL16754541 0.77 TRPV1 (0.40) CTSSAXLHTT
SCHEMBL17770366 0.77 TRPV1 (0.40) CTSSAXLHTT
SCHEMBL20550312 0.77 TRPV1 (0.35) CTSS
SCHEMBL20550605 0.75 GSK3B (0.43) —
SCHEMBL19713784 0.73 TRPV1 (0.39) CTSSHTT

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
WO-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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