SCHEMBL22100742

SCHEMBL22100742

C=C(/C=C/c1cccc(C)c1)N(c1ccccn1)C1CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 10/20 0.77
HTT P42858 1/20 0.59
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 4/20 0.52
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL22100834 0.88 TRPM8 (0.76) TRPM8HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL22100807 0.88 TRPM8 (0.74) TRPM8HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL13277736 0.87 TRPM8 (1.00) TRPM8HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL10271033 0.87 TRPM8 (1.00) TRPM8HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL22100812 0.81 TRPM8 (0.76) TRPM8HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL22100829 0.81 TRPM8 (0.60) TRPM8HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL22100766 0.75 TRPM8 (0.55) TRPM8HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL13277324 0.75 TRPM8 (1.00) TRPM8HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL30532215 0.75 TRPM8 (1.00) TRPM8HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL10270359 0.75 TRPM8 (1.00) TRPM8HTTALDH1A1SMN1; SMN2KDM4E

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