SCHEMBL30955431

SCHEMBL30955431

CC(=O)Nc1cccc(CO[C@@H]2C[C@@H](C(=S)N(C)C)N(C(=O)OC(C)(C)C)C2)c1.CC(=O)Nc1cccc(CO[C@H]2CN[C@H](C(=S)N(C)C)C2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.35
ABCB1 P08183 1/20 0.35
USP30 Q70CQ3 2/20 0.34
GHSR Q92847 2/20 0.34
BACE1 P56817 2/20 0.33
SCN9A Q15858 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
UCHL1 P09936 2/20 0.32
SIRT3 Q9NTG7 1/20 0.32
MCL1 Q07820 2/20 0.32
CCR3 P51677 1/20 0.31
DHODH Q02127 1/20 0.31
XIAP P98170 1/20 0.31
BIRC3 Q13489 1/20 0.31
BIRC2 Q13490 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 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
SCHEMBL30955474 0.92 SIRT2 (0.39) SIRT2ABCB1USP30GHSRBACE1
SCHEMBL30955440 0.89 CHRM3 (0.37) ABCB1GHSRJAK2JAK1UCHL1
Hydrochloric Acid SCHEMBL30955453 0.86 ABCB1 (0.34) ABCB1JAK2JAK1UCHL1MCL1
SCHEMBL30955469 0.86 SCN9A (0.39) SIRT2SCN9ASIRT3DHODHCYP1A2
SCHEMBL30955426 0.85 MCL1 (0.36) ABCB1UCHL1MCL1
SCHEMBL30955482 0.84 GPR119 (0.36) ABCB1JAK2JAK1UCHL1MCL1
SCHEMBL30955486 0.84 UCHL1 (0.33) ABCB1JAK2JAK1UCHL1
SCHEMBL30955470 0.83 UCHL1 (0.33) ABCB1UCHL1
SCHEMBL30955420 0.81 CHRM3 (0.42) ABCB1GHSRJAK2JAK1UCHL1
SCHEMBL30955421 0.79 ABCB1 (0.41) ABCB1GHSRJAK2JAK1UCHL1

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