SCHEMBL30955422

SCHEMBL30955422

CN(C)C(=S)[C@@H]1C[C@@H](OCc2cccc(S(=O)(=O)O)c2)CN1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
CTSC P53634 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
SCHEMBL30955515 0.91 CA1 (0.36) SLC6A4ALDH1A1
SCHEMBL30955505 0.85 CHRM3 (0.35) OPRM1OPRL1
SCHEMBL30955468 0.82 MRGPRX4 (0.42) MRGPRX4ALDH1A1RXFP1
SCHEMBL30955434 0.80 RAB9A (0.45) MRGPRX4ALDH1A1
Hydrochloric Acid SCHEMBL30955409 0.80 KDM1A (0.35) MRGPRX4OPRM1
SCHEMBL30955469 0.80 SCN9A (0.39) ALDH1A1
SCHEMBL30955418 0.77 OPRM1 (0.34) ALDH1A1OPRM1OPRL1
SCHEMBL30955437 0.75 NLRP3 (0.38) SLC6A4MAPK1
Hydrochloric Acid SCHEMBL30955461 0.75 NAAA (0.30)
SCHEMBL30955428 0.74 TACR1 (0.31) ALDH1A1

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