SCHEMBL30955428

SCHEMBL30955428

COc1cc(CO[C@H]2CN[C@H](C(=S)N(C)C)C2)cc(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.31
CALM1 P0DP23 2/20 0.31
NAAA Q02083 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
TSHR P16473 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL30955486 0.82 UCHL1 (0.33) ALDH1A1
SCHEMBL30955418 0.81 OPRM1 (0.34) NAAAALDH1A1
SCHEMBL30955505 0.80 CHRM3 (0.35)
SCHEMBL30955437 0.77 NLRP3 (0.38)
SCHEMBL30955434 0.76 RAB9A (0.45) TSHRALDH1A1
SCHEMBL30955468 0.75 MRGPRX4 (0.42) ALDH1A1
SCHEMBL30955469 0.75 SCN9A (0.39) TSHRALDH1A1
SCHEMBL30955422 0.74 MRGPRX4 (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL30955409 0.74 KDM1A (0.35)
SCHEMBL30955406 0.71 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