SCHEMBL30955421

SCHEMBL30955421

CN(C)C(=S)[C@@H]1C[C@@H](OCc2cccc(C(=O)O)c2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
MRGPRX4 Q96LA9 6/20 0.39
UCHL1 P09936 1/20 0.39
GHSR Q92847 5/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TP53 P04637 2/20 0.38
PKM P14618 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
PAX8 Q06710 1/20 0.37
KLF5 Q13887 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL30955446 0.92 ABCB1 (0.38) ABCB1UCHL1GHSRJAK2JAK1
SCHEMBL30955521 0.91 MRGPRX4 (0.40) ABCB1MRGPRX4UCHL1JAK2JAK1
SCHEMBL30955420 0.90 CHRM3 (0.42) ABCB1UCHL1GHSRJAK2JAK1
SCHEMBL30955398 0.86 NR1H2 (0.41) ABCB1JAK2JAK1MCL1
SCHEMBL30955474 0.85 SIRT2 (0.39) ABCB1UCHL1GHSRJAK2JAK1
SCHEMBL30955430 0.85 MCL1 (0.40) ABCB1UCHL1MCL1
Hydrochloric Acid SCHEMBL30955453 0.84 ABCB1 (0.34) ABCB1UCHL1JAK2JAK1MCL1
SCHEMBL30955478 0.84 GPR119 (0.41) ABCB1UCHL1JAK2JAK1POLB
SCHEMBL30955440 0.82 CHRM3 (0.37) ABCB1UCHL1GHSRJAK2JAK1
SCHEMBL30955424 0.81 UCHL1 (0.37) ABCB1UCHL1JAK2JAK1POLB

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