SCHEMBL22100766

SCHEMBL22100766

C=Cc1c(/C=C/C(=C)N(c2ccccn2)C2CCCCC2)cccc1CC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 12/20 0.55
LMNA P02545 2/20 0.52
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL22100833 0.85 TRPM8 (0.48) TRPM8LMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL22100812 0.81 TRPM8 (0.76) TRPM8LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL22100829 0.79 TRPM8 (0.60) TRPM8LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL22100807 0.77 TRPM8 (0.74) TRPM8LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL22100834 0.75 TRPM8 (0.76) TRPM8LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL22100742 0.75 TRPM8 (0.77) TRPM8LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL12655736 0.71 TRPM8 (1.00) TRPM8LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL10271040 0.69 TRPM8 (1.00) TRPM8LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL22100758 0.69 NPC1 (0.56) TRPM8LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL10271034 0.68 TRPM8 (1.00) TRPM8LMNAALDH1A1SMN1; SMN2HTT

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-2501761-B1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2020-06-17 EP disclosed