SCHEMBL22100807

SCHEMBL22100807

C=C(/C=C/c1ccccc1)N(c1ccccn1)C1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 11/20 0.74
▸ ALDH1A1 P00352 5/20 0.74
▸ SMN1; SMN2 Q16637 2/20 0.74
▸ LMNA P02545 3/20 0.61
▸ HTT P42858 1/20 0.58
▸ MAPT P10636 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ CACNA1B Q00975 1/20 0.57
▸ APBA1 Q02410 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.55
▸ POLB P06746 1/20 0.53

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 0.91 TRPM8 (0.76) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL22100742 0.88 TRPM8 (0.77) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL22100829 0.88 TRPM8 (0.60) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL30532220 0.85 TRPM8 (1.00) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL10270345 0.85 TRPM8 (1.00) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL22100812 0.83 TRPM8 (0.76) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL22100766 0.77 TRPM8 (0.55) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13277324 0.76 TRPM8 (1.00) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL30532215 0.76 TRPM8 (1.00) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL10270359 0.76 TRPM8 (1.00) TRPM8ALDH1A1SMN1; SMN2LMNAHTT

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
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