SCHEMBL22100758

SCHEMBL22100758

C=C(c1ccc(CC)cc1)N(c1ccccn1)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.53
▸ TRPM8 Q7Z2W7 7/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 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
SCHEMBL22100710 0.84 TRPM8 (0.60) NPC1ALDH1A1TRPM8SMN1; SMN2LMNA
SCHEMBL22100829 0.81 TRPM8 (0.60) NPC1ALDH1A1TRPM8SMN1; SMN2LMNA
SCHEMBL10914231 0.72 NPC1 (0.66) NPC1ALDH1A1TRPM8SMN1; SMN2LMNA
SCHEMBL14821822 0.70 ALDH1A1 (0.59) NPC1ALDH1A1TRPM8SMN1; SMN2LMNA
SCHEMBL10271046 0.69 TRPM8 (1.00) NPC1ALDH1A1TRPM8SMN1; SMN2LMNA
SCHEMBL14822030 0.69 ALDH1A1 (0.52) NPC1ALDH1A1TRPM8SMN1; SMN2LMNA
SCHEMBL14822029 0.69 ALDH1A1 (0.55) NPC1ALDH1A1TRPM8SMN1; SMN2LMNA
SCHEMBL16135774 0.69 ALDH1A1 (0.68) NPC1ALDH1A1TRPM8LMNAHTT
SCHEMBL22100766 0.69 TRPM8 (0.55) NPC1ALDH1A1TRPM8SMN1; SMN2LMNA
SCHEMBL14821559 0.68 NPC1 (0.55) NPC1ALDH1A1TRPM8SMN1; 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
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