SCHEMBL29313351

SCHEMBL29313351

CCC[C@H](C)CC[C@@H](C)Cc1ncccn1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.34
TLR7 Q9NYK1 2/20 0.34
TSHR P16473 1/20 0.33
KCNA5 P22460 1/20 0.30
KCNH2 Q12809 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
SCHEMBL19388196 0.96 TSHR (0.36) TLR8TLR7TSHRKCNA5KCNH2
SCHEMBL23026166 0.76 APLNR (0.35) TSHR
SCHEMBL6164383 0.73 TLR8 (0.33) TLR8TLR7KCNA5KCNH2
SCHEMBL23754847 0.73 TLR8 (0.32) TLR8TLR7KCNA5KCNH2
SCHEMBL18430383 0.73 GRIN2D (0.47) TSHR
SCHEMBL26828707 0.72 TRPA1 (0.36) TSHRKCNA5
SCHEMBL2948062 0.71 KDM4E (0.39)
SCHEMBL23844520 0.71 KDM4E (0.41) TLR8TLR7
SCHEMBL21564299 0.69 KDM1A (0.35) TLR8TLR7
SCHEMBL20610005 0.69 TSHR (0.59) TSHR

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-3782986-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-07-10 EP disclosed