SCHEMBL22903468

SCHEMBL22903468

CCN(C)C1CCN(c2nnc(N)[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHIA Q9BZP6 11/20 0.39
▸ CHIT1 Q13231 10/20 0.39
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ SPR P35270 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
SCHEMBL5174107 0.69 CYP1A2 (0.37) —
SCHEMBL11200914 0.68 PARP1 (0.36) —
SCHEMBL23653975 0.66 SLC6A4 (0.33) —
SCHEMBL27570748 0.64 MCHR1 (0.50) —
SCHEMBL8854868 0.64 KDM4E (0.44) —
SCHEMBL22856336 0.63 SLC6A4 (0.35) —
SCHEMBL8723815 0.63 ADRB1 (0.44) CHIACHIT1
SCHEMBL5544933 0.63 MCHR1 (0.41) CHIACHIT1
SCHEMBL12464449 0.62 NOS3 (0.44) —
SCHEMBL8854863 0.62 MCHR1 (0.32) —

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-2021009209-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS Oncoarendi Therapeutics S.A. (PL) 2021-01-21 — — WO disclosed
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