SCHEMBL14821822

SCHEMBL14821822

C=C(C(=O)N(c1ccccn1)C1CCCCC1)c1ccc(O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ TRPM8 Q7Z2W7 7/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ LMNA P02545 3/20 0.51
▸ MAPT P10636 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTT P42858 1/20 0.47

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
SCHEMBL14821893 0.95 ALDH1A1 (0.56) ALDH1A1TRPM8NPC1LMNAMAPT
SCHEMBL14821582 0.87 ALDH1A1 (0.57) ALDH1A1TRPM8NPC1LMNAMAPT
SCHEMBL14821580 0.87 ALDH1A1 (0.57) ALDH1A1TRPM8NPC1LMNAMAPT
SCHEMBL14821554 0.87 ALDH1A1 (0.57) ALDH1A1TRPM8NPC1LMNAMAPT
SCHEMBL14821833 0.86 ALDH1A1 (0.56) ALDH1A1TRPM8NPC1LMNAMAPT
SCHEMBL14821835 0.86 ALDH1A1 (0.56) ALDH1A1TRPM8NPC1LMNAMAPT
SCHEMBL14822029 0.85 ALDH1A1 (0.55) ALDH1A1TRPM8NPC1LMNAMAPT
SCHEMBL14821827 0.84 ALDH1A1 (0.54) ALDH1A1TRPM8NPC1LMNAMAPT
SCHEMBL15276635 0.83 TRPM8 (0.63) ALDH1A1TRPM8NPC1LMNAMAPT
SCHEMBL14822030 0.83 ALDH1A1 (0.52) ALDH1A1TRPM8NPC1LMNAMAPT

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
WO-2013041621-A1 LOW MOLECULAR WEIGHT MODULATORS OF THE COLD-MENTHOL RECEPTOR TRPM8 AND USE THEREOF BASF SE (DE) 2013-03-28 — — WO disclosed
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