SCHEMBL20219343

SCHEMBL20219343

CCC(C)C(CCO)Nc1nc(N)ncc1ONC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ KCNH2 Q12809 10/20 0.32
▸ TLR8 Q9NR97 3/20 0.32
▸ TLR7 Q9NYK1 3/20 0.32
▸ CYP2D6 P10635 2/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ NUDT1 P36639 2/20 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
SCHEMBL23472142 0.88 TRPM8 (0.44) TRPM8KCNH2TLR8TLR7CYP2D6
SCHEMBL15470343 0.88 TRPM8 (0.44) TRPM8KCNH2TLR8TLR7CYP2D6
SCHEMBL19274227 0.88 TRPM8 (0.44) TRPM8KCNH2TLR8TLR7CYP2D6
SCHEMBL20386620 0.80 TRPM8 (0.32) TRPM8TLR8TLR7
SCHEMBL23472645 0.78 TRPM8 (0.40) TRPM8TLR8TLR7NUDT1
SCHEMBL20219325 0.78 TRPM8 (0.40) TRPM8NUDT1
SCHEMBL13195755 0.78 TRPM8 (0.40) TRPM8NUDT1
SCHEMBL21769311 0.77 TRPM8 (0.46) TRPM8TLR8TLR7CYP2D6DRD1
SCHEMBL23472223 0.75 TRPM8 (0.45) TRPM8TLR8TLR7
SCHEMBL23472485 0.75 TRPM8 (0.45) TRPM8TLR8TLR7CYP2D6DRD1

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-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
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