SCHEMBL23472468

SCHEMBL23472468

C=Cc1ncc(OC)c(N[C@@H](CCO)C(C)CC)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 5/20 0.42
▸ MITF O75030 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 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
SCHEMBL23472223 0.83 TRPM8 (0.45) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL23472142 0.82 TRPM8 (0.44) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL15470343 0.82 TRPM8 (0.44) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL19274227 0.82 TRPM8 (0.44) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL20219550 0.75 CXCR2 (0.38) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL20219573 0.74 TLR7 (0.35) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL23472645 0.72 TRPM8 (0.40) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL20219325 0.72 TRPM8 (0.40) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL13195755 0.72 TRPM8 (0.40) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL23472112 0.71 TLR7 (0.34) TRPM8MITFLMNAMAPTSMN1; SMN2

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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