SCHEMBL23472142

SCHEMBL23472142

CC[C@@H](C)[C@H](CCO)Nc1nc(N)ncc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 3/20 0.44
▸ NUDT1 P36639 1/20 0.39
▸ TLR7 Q9NYK1 4/20 0.38
▸ TLR8 Q9NR97 3/20 0.38
▸ P2RX3 P56373 5/20 0.37
▸ P2RX2 Q9UBL9 5/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ MITF O75030 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL19274227 1.00 TRPM8 (0.44) TRPM8NUDT1TLR7TLR8P2RX3
SCHEMBL15470343 1.00 TRPM8 (0.44) TRPM8NUDT1TLR7TLR8P2RX3
SCHEMBL20219325 0.90 TRPM8 (0.40) TRPM8NUDT1P2RX3P2RX2MITF
SCHEMBL23472645 0.90 TRPM8 (0.40) TRPM8NUDT1TLR7TLR8P2RX3
SCHEMBL13195755 0.90 TRPM8 (0.40) TRPM8NUDT1P2RX3P2RX2MITF
SCHEMBL21769311 0.89 TRPM8 (0.46) TRPM8NUDT1TLR7TLR8P2RX3
SCHEMBL20219343 0.88 TRPM8 (0.34) TRPM8NUDT1TLR7TLR8CYP2D6
SCHEMBL23472485 0.86 TRPM8 (0.45) TRPM8NUDT1TLR7TLR8P2RX3
SCHEMBL23472223 0.86 TRPM8 (0.45) TRPM8TLR7TLR8P2RX3P2RX2
SCHEMBL15469788 0.86 TRPM8 (0.45) TRPM8NUDT1TLR7TLR8P2RX3

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
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