SCHEMBL29007016

SCHEMBL29007016

CC1CCC(C(C)C)[C@H](C(=O)NCCc2ccccn2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.52
ALOX5AP P20292 1/20 0.48
HSD11B1 P28845 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ADAM17 P78536 1/20 0.42
CYP3A4 P08684 3/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL15342927 1.00 TRPM8 (0.52) TRPM8ALOX5APHSD11B1SMN1; SMN2TAS1R3
SCHEMBL29533375 1.00 TRPM8 (0.52) TRPM8ALOX5APHSD11B1SMN1; SMN2TAS1R3
SCHEMBL31486820 1.00 TRPM8 (0.52) TRPM8ALOX5APHSD11B1SMN1; SMN2TAS1R3
SCHEMBL2628659 1.00 TRPM8 (0.52) TRPM8ALOX5APHSD11B1SMN1; SMN2TAS1R3
SCHEMBL529952 1.00 TRPM8 (0.52) TRPM8ALOX5APHSD11B1SMN1; SMN2TAS1R3
SCHEMBL31658232 1.00 TRPM8 (0.52) TRPM8ALOX5APHSD11B1SMN1; SMN2TAS1R3
SCHEMBL23062653 1.00 TRPM8 (0.52) TRPM8ALOX5APHSD11B1SMN1; SMN2TAS1R3
SCHEMBL4132345 1.00 TRPM8 (0.52) TRPM8ALOX5APHSD11B1SMN1; SMN2TAS1R3
SCHEMBL1159800 1.00 TRPM8 (0.52) TRPM8ALOX5APHSD11B1SMN1; SMN2TAS1R3
SCHEMBL10044144 1.00 TRPM8 (0.52) TRPM8ALOX5APHSD11B1SMN1; SMN2TAS1R3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117956976-A Nonaqueous oral composition 狮王株式会社 2024-04-30 CN claimed
CN-117956976-A Nonaqueous oral composition 狮王株式会社 2024-04-30 CN disclosed
CN-117956976-A Nonaqueous oral composition 狮王株式会社 2024-04-30 CN disclosed
CN-116018128-A Cooling composition 奇华顿股份有限公司 2023-04-25 CN disclosed