SCHEMBL31270478

SCHEMBL31270478

CC(=O)NC(C)(C)C[C@H]1CC[C@@H](N)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
CACNA1H O95180 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL28608372 0.76 CPB1 (0.34) THRATHRBF2PRSS1
SCHEMBL28594264 0.76 CPB1 (0.34) THRATHRBF2PRSS1
SCHEMBL28603572 0.76 CPB1 (0.34) THRATHRBF2PRSS1
SCHEMBL28586161 0.76 CPB1 (0.34) THRATHRBF2PRSS1
SCHEMBL21214210 0.75
SCHEMBL23484741 0.71 SMYD3 (0.37) THRATHRBSMYD3
SCHEMBL31269736 0.71 SMYD3 (0.34) SMYD3
SCHEMBL102383 0.71 THRA (0.42) THRATHRB
SCHEMBL13152771 0.71 THRA (0.42) THRATHRB
SCHEMBL13152808 0.71 THRA (0.42) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688742-A1 CYCLOHEXYL OR HETEROCYCLOALKYL BETA-HYDROXY ALKYL AMINES FOR USE IN THE TREATMENT OF HYPERGLYCAEMIA AND DISORDERS CHARACTERISED BY HYPERGLYCAEMIA Atrogi AB (SE) 2026-02-11 EP disclosed
WO-2024200768-A1 CYCLOHEXYL OR HETEROCYCLOALKYL BETA-HYDROXY ALKYL AMINES FOR USE IN THE TREATMENT OF HYPERGLYCAEMIA AND DISORDERS CHARACTERISED BY HYPERGLYCAEMIA ATROGI AB (SE) 2024-10-03 WO disclosed