SCHEMBL30955475

SCHEMBL30955475

CC(=O)O[C@@H]1C[C@@H](C(=O)N(C)C)N(C(=O)OC(C)(C)C)C1.CN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
UCHL1 P09936 1/20 0.40
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ATM Q13315 1/20 0.35
NR1H2 P55055 1/20 0.31
HTRA1 Q92743 1/20 0.31
MCL1 Q07820 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
SCHEMBL30955441 0.94 UCHL1 (0.43) CYP1A2POLBCYP3A4CYP2C19UCHL1
SCHEMBL4488887 0.89 CYP1A2 (0.49) CYP1A2POLBCYP3A4CYP2C19UCHL1
SCHEMBL2499441 0.89 CYP1A2 (0.49) CYP1A2POLBCYP3A4CYP2C19UCHL1
SCHEMBL2495598 0.89 CYP1A2 (0.49) CYP1A2POLBCYP3A4CYP2C19UCHL1
SCHEMBL6604308 0.89 CYP1A2 (0.49) CYP1A2POLBCYP3A4CYP2C19UCHL1
SCHEMBL2493129 0.89 CYP1A2 (0.49) CYP1A2POLBCYP3A4CYP2C19UCHL1
SCHEMBL30955417 0.88 CYP1A2 (0.41) CYP1A2POLBCYP3A4CYP2C19UCHL1
SCHEMBL30955410 0.87 UCHL1 (0.39) CYP1A2POLBCYP3A4CYP2C19UCHL1
SCHEMBL30955427 0.81 UCHL1 (0.38) CYP1A2POLBCYP3A4CYP2C19UCHL1
SCHEMBL5359255 0.81 UCHL1 (0.54) CYP1A2POLBCYP3A4CYP2C19UCHL1

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