SCHEMBL20632115

SCHEMBL20632115

C=C(NC(C)C)N(CCCCC)c1nc(-c2cccc(C(C)(F)F)c2)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.38
▸ TRPV3 Q8NET8 1/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ HDAC4 P56524 1/20 0.31
▸ MEF2D Q14814 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ KDM1A O60341 1/20 0.30

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
SCHEMBL20633090 0.85 TLR8 (0.35) TLR8TRPV3HDAC4
SCHEMBL20631622 0.83 MEN1 (0.36) TLR8HDAC4MEF2D
SCHEMBL20632107 0.83 TLR8 (0.35) TLR8CNR1HDAC4MEF2D
SCHEMBL20632264 0.83 TLR8 (0.40) TLR8HDAC4MEF2DKDM1A
SCHEMBL20632126 0.83 TLR8 (0.34) TLR8HDAC4MEF2D
SCHEMBL20632633 0.83 TLR8 (0.34) TLR8HDAC4MEF2D
SCHEMBL20632765 0.83 TLR8 (0.34) TLR8CNR1
SCHEMBL20632368 0.81 TLR8 (0.33) TLR8
SCHEMBL20632487 0.80 TLR8 (0.44) TLR8TRPV3CNR1CTSSCTSK
SCHEMBL20632955 0.79 TLR8 (0.41) TLR8CTSSCTSKKDM1A

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
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
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