SCHEMBL30955474

SCHEMBL30955474

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.39
ABCB1 P08183 1/20 0.39
USP30 Q70CQ3 2/20 0.38
GHSR Q92847 1/20 0.38
SCN9A Q15858 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
UCHL1 P09936 2/20 0.36
BACE1 P56817 2/20 0.35
MCL1 Q07820 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCR3 P51677 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
MAOB P27338 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL30955431 0.92 SIRT2 (0.35) SIRT2ABCB1USP30GHSRSCN9A
SCHEMBL30955420 0.87 CHRM3 (0.42) ABCB1GHSRJAK2JAK1UCHL1
SCHEMBL30955521 0.85 MRGPRX4 (0.40) ABCB1JAK2JAK1UCHL1MCL1
SCHEMBL30955421 0.85 ABCB1 (0.41) ABCB1GHSRJAK2JAK1UCHL1
SCHEMBL30955446 0.84 ABCB1 (0.38) ABCB1GHSRJAK2JAK1UCHL1
SCHEMBL30955398 0.83 NR1H2 (0.41) ABCB1JAK2JAK1MCL1
SCHEMBL30955430 0.83 MCL1 (0.40) ABCB1UCHL1MCL1
SCHEMBL30955478 0.81 GPR119 (0.41) ABCB1JAK2JAK1UCHL1MCL1
SCHEMBL30955424 0.81 UCHL1 (0.37) ABCB1USP30JAK2JAK1UCHL1
SCHEMBL30955458 0.79 UCHL1 (0.37) ABCB1JAK2JAK1UCHL1MCL1

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