SCHEMBL30955418

SCHEMBL30955418

CN(C)C(=S)[C@@H]1C[C@@H](OCc2ccc(O)cc2)CN1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
HSD11B1 P28845 1/20 0.32
NAAA Q02083 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
IDO1 P14902 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
SCHEMBL30955505 0.85 CHRM3 (0.35) OPRM1OPRL1
SCHEMBL30955437 0.82 NLRP3 (0.38)
SCHEMBL30955428 0.81 TACR1 (0.31) NAAAALDH1A1
SCHEMBL30955482 0.81 GPR119 (0.36)
SCHEMBL30955468 0.78 MRGPRX4 (0.42) ALDH1A1
SCHEMBL30955422 0.77 MRGPRX4 (0.34) OPRM1OPRL1ALDH1A1
SCHEMBL30955515 0.77 CA1 (0.36) ALDH1A1
Hydrochloric Acid SCHEMBL30955409 0.77 KDM1A (0.35) OPRM1
SCHEMBL30955434 0.77 RAB9A (0.45) ALDH1A1
SCHEMBL30955406 0.73 GRIA1 (0.34)

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