SCHEMBL24677482

SCHEMBL24677482

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCc1ccc(CN(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.48
SERPINE1 P05121 2/20 0.44
EPHX1 P07099 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 3/20 0.41
TSHR P16473 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LSS P48449 2/20 0.39
SCN9A Q15858 1/20 0.38

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
Hydrochloric Acid SCHEMBL29868121 0.99 TRPM8 (0.47) TRPM8SERPINE1EPHX1TRPV1ALDH1A1
SCHEMBL24677538 0.89 CYP3A4 (0.47) TRPM8SERPINE1ALDH1A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL29868258 0.88 CYP3A4 (0.47) TRPM8SERPINE1ALDH1A1CYP3A4CYP2C9
SCHEMBL15133430 0.87 ALDH1A1 (0.55) TRPM8SERPINE1EPHX1TRPV1ALDH1A1
SCHEMBL31448505 0.87 ALDH1A1 (0.55) TRPM8SERPINE1EPHX1TRPV1ALDH1A1
SCHEMBL24677403 0.86 TRPM8 (0.50) TRPM8SERPINE1EPHX1TRPV1ALDH1A1
SCHEMBL24677412 0.86 TRPM8 (0.50) TRPM8SERPINE1EPHX1TRPV1ALDH1A1
SCHEMBL4813136 0.85 MC4R (0.52) TRPM8SERPINE1EPHX1ALDH1A1CYP3A4
SCHEMBL4886347 0.85 SERPINE1 (0.59) TRPM8SERPINE1EPHX1TRPV1ALDH1A1
Hydrochloric Acid SCHEMBL29868018 0.85 TRPM8 (0.49) TRPM8SERPINE1EPHX1TRPV1ALDH1A1

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-2022178030-A1 TRPM8 AGONISTS AS COOLING AGENTS AND FOR THE TREATMENT OF DISEASE Concentric Analgesics, Inc. (US) 2022-08-25 WO disclosed