SCHEMBL22100797

SCHEMBL22100797

O=C(/C=C/c1ccc2c(c1)CCC2)N(Cc1ccccc1)c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 8/20 0.67
MAPK1 P28482 1/20 0.66
KMT2A Q03164 1/20 0.66
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL13471449 0.80 TRPM8 (1.00) TRPM8MAPK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22100750 0.79 TRPM8 (0.76) TRPM8MAPK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10270953 0.78 TRPM8 (1.00) TRPM8MAPK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22100762 0.77 TRPM8 (0.50) TRPM8MAPK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3783385 0.72 TSHR (0.65) TRPM8MAPK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1926573 0.70 RXRA (0.56) KMT2AALDH1A1SMN1; SMN2POLBHTT
SCHEMBL2716971 0.68 TRPM8 (0.57) TRPM8MAPK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2716968 0.68 TRPM8 (0.57) TRPM8MAPK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2728401 0.68 KDM4E (0.53) MAPK1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL2728405 0.68 KDM4E (0.53) MAPK1KMT2AALDH1A1SMN1; SMN2LMNA

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