SCHEMBL24677403

SCHEMBL24677403

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.50
EPHX1 P07099 1/20 0.49
SERPINE1 P05121 2/20 0.45
TRPV1 Q8NER1 2/20 0.44
BACE1 P56817 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TPSAB1 Q15661 5/20 0.42
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
CYP19A1 P11511 1/20 0.39

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 SCHEMBL29868018 0.99 TRPM8 (0.49) TRPM8EPHX1SERPINE1TRPV1BACE1
SCHEMBL24677411 0.91 TRPM8 (0.48) TRPM8EPHX1SERPINE1TRPV1ALDH1A1
SCHEMBL24677401 0.91 SERPINE1 (0.48) TRPM8EPHX1SERPINE1TRPV1ALDH1A1
Hydrochloric Acid SCHEMBL29868479 0.90 TRPM8 (0.47) TRPM8EPHX1SERPINE1TRPV1ALDH1A1
Hydrochloric Acid SCHEMBL29867935 0.90 SERPINE1 (0.48) TRPM8EPHX1SERPINE1TRPV1ALDH1A1
SCHEMBL15133430 0.89 ALDH1A1 (0.55) TRPM8EPHX1SERPINE1TRPV1ALDH1A1
SCHEMBL31448505 0.89 ALDH1A1 (0.55) TRPM8EPHX1SERPINE1TRPV1ALDH1A1
SCHEMBL24677485 0.88 TRPM8 (0.48) TRPM8EPHX1SERPINE1TRPV1ALDH1A1
SCHEMBL24677412 0.88 TRPM8 (0.50) TRPM8EPHX1SERPINE1TRPV1ALDH1A1
SCHEMBL4813136 0.88 MC4R (0.52) TRPM8EPHX1SERPINE1ALDH1A1

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