SCHEMBL10776402

SCHEMBL10776402

c1c[nH]c(CCCCCn2cccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KCNA3 P22001 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM5A P29375 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL8955030 0.76 GPR84 (0.44) GPR84HRH3
SCHEMBL7100687 0.74 DAO (0.43) DAOIDO1TLR8TLR7KCNA3
SCHEMBL7003873 0.74 GPR84 (0.41) DAOGPR84HRH3
SCHEMBL23496251 0.72 USP2 (0.44) DAOIDO1TLR8TLR7KDM4E
SCHEMBL9154367 0.71 GPR84 (0.59) GPR84
SCHEMBL2111421 0.71 GPR84 (0.59) GPR84
SCHEMBL16135390 0.71 GPR84 (0.59) GPR84
SCHEMBL2889726 0.71 GPR84 (0.59) GPR84
SCHEMBL2402381 0.71 GPR84 (0.59) GPR84
SCHEMBL8646071 0.71 GPR84 (0.59) GPR84

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-0233341-A1 5-Heterocyclyl-1-aryl-pyrazole BAYER AG (DE) 1987-08-26 — — EP disclosed
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