SCHEMBL30955434

SCHEMBL30955434

COC(=O)c1cccc(CO[C@H]2CN[C@H](C(=S)N(C)C)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.43
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
MRGPRX4 Q96LA9 6/20 0.41
SLC7A5 Q01650 1/20 0.41
NPC1 O15118 3/20 0.39
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL30955468 0.90 MRGPRX4 (0.42) RAB9ASMN1; SMN2ALDH1A1MRGPRX4NPSR1
Hydrochloric Acid SCHEMBL30955409 0.88 KDM1A (0.35) CYP4F2CYP4A11MRGPRX4
SCHEMBL30955505 0.84 CHRM3 (0.35)
SCHEMBL30955469 0.83 SCN9A (0.39) RAB9AALDH1A1NPC1TSHRNPSR1
SCHEMBL30955422 0.80 MRGPRX4 (0.34) ALDH1A1MRGPRX4
SCHEMBL30955515 0.80 CA1 (0.36) ALDH1A1
SCHEMBL30955418 0.77 OPRM1 (0.34) ALDH1A1
SCHEMBL30955428 0.76 TACR1 (0.31) ALDH1A1TSHR
SCHEMBL30955437 0.74 NLRP3 (0.38) MEN1KMT2A
SCHEMBL18615763 0.74 LOXL2 (0.56) RAB9ASMN1; SMN2KDM4EALDH1A1MAPT

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