SCHEMBL30955396

SCHEMBL30955396

COC(=O)CCCCO[C@@H]1C[C@@H](C(=S)N(C)C)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.35
NR1H2 P55055 1/20 0.32
AGTR2 P50052 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
ABCB1 P08183 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL30955467 0.96 UCHL1 (0.35) UCHL1AGTR2ABCB1
SCHEMBL30955413 0.90 UCHL1 (0.35) UCHL1NR1H2AGTR2ABCB1
SCHEMBL30955439 0.90 UCHL1 (0.34) UCHL1NR1H2AGTR2
SCHEMBL30955415 0.82 MEN1 (0.36) UCHL1NR1H2
SCHEMBL30955531 0.81
SCHEMBL30955464 0.81 MEN1 (0.36) UCHL1NR1H2
SCHEMBL30955459 0.80 UCHL1 (0.34) UCHL1NR1H2
SCHEMBL30340428 0.78 AGTR2 (0.40) UCHL1NR1H2AGTR2ABCB1CYP1A2
SCHEMBL30340394 0.78 AGTR2 (0.40) UCHL1NR1H2AGTR2ABCB1CYP1A2
SCHEMBL26119033 0.76 UCHL1 (0.39) UCHL1NR1H2AGTR2ABCB1

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-4626548-A1 NON PEPTIDERGIC AGONISTS OF OXYTOCIN RECEPTOR Université de Strasbourg (FR) 2025-10-08 EP disclosed
WO-2024115667-A1 NON PEPTIDERGIC AGONISTS OF OXYTOCIN RECEPTOR UNIVERSITE DE STRASBOURG (FR) 2024-06-06 WO disclosed