SCHEMBL24677401

SCHEMBL24677401

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.48
TRPM8 Q7Z2W7 4/20 0.48
EPHX1 P07099 1/20 0.47
TRPV1 Q8NER1 2/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP19A1 P11511 2/20 0.38
P2RX4 Q99571 1/20 0.38
HPGD P15428 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 SCHEMBL29867935 0.99 SERPINE1 (0.48) SERPINE1TRPM8EPHX1TRPV1CA1
SCHEMBL24677403 0.91 TRPM8 (0.50) SERPINE1TRPM8EPHX1TRPV1ALDH1A1
Hydrochloric Acid SCHEMBL29868018 0.89 TRPM8 (0.49) SERPINE1TRPM8EPHX1TRPV1ALDH1A1
SCHEMBL24677411 0.88 TRPM8 (0.48) SERPINE1TRPM8EPHX1TRPV1ALDH1A1
Hydrochloric Acid SCHEMBL29868479 0.87 TRPM8 (0.47) SERPINE1TRPM8EPHX1TRPV1ALDH1A1
SCHEMBL15133430 0.87 ALDH1A1 (0.55) SERPINE1TRPM8EPHX1TRPV1ALDH1A1
SCHEMBL31448505 0.87 ALDH1A1 (0.55) SERPINE1TRPM8EPHX1TRPV1ALDH1A1
SCHEMBL24677485 0.86 TRPM8 (0.48) SERPINE1TRPM8EPHX1TRPV1ALDH1A1
SCHEMBL24677412 0.86 TRPM8 (0.50) SERPINE1TRPM8EPHX1TRPV1ALDH1A1
SCHEMBL4813136 0.85 MC4R (0.52) SERPINE1TRPM8EPHX1ALDH1A1HPGD

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