SCHEMBL30955458

SCHEMBL30955458

CN(C)C(=S)[C@@H]1C[C@@H](OCc2ccc3cc[nH]c3c2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.37
NLRP3 Q96P20 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
ABCB1 P08183 1/20 0.35
AGTR2 P50052 1/20 0.34
CACNA1H O95180 1/20 0.33
P2RX3 P56373 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MCL1 Q07820 2/20 0.32
JAK1 P23458 2/20 0.32
BDKRB2 P30411 2/20 0.32
JAK2 O60674 1/20 0.32
MAOA P21397 1/20 0.32
MAPK14 Q16539 2/20 0.32

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
SCHEMBL30955470 0.93 UCHL1 (0.33) UCHL1NLRP3GPR119ABCB1AGTR2
SCHEMBL30955478 0.85 GPR119 (0.41) UCHL1GPR119ABCB1AGTR2P2RX3
SCHEMBL30955420 0.83 CHRM3 (0.42) UCHL1GPR119ABCB1AGTR2CYP1A2
SCHEMBL30955421 0.81 ABCB1 (0.41) UCHL1ABCB1POLBMCL1JAK1
SCHEMBL30955424 0.81 UCHL1 (0.37) UCHL1GPR119ABCB1P2RX3CYP1A2
SCHEMBL30955446 0.80 ABCB1 (0.38) UCHL1GPR119ABCB1MCL1JAK1
SCHEMBL30955521 0.80 MRGPRX4 (0.40) UCHL1ABCB1MCL1JAK1JAK2
SCHEMBL30955398 0.80 NR1H2 (0.41) GPR119ABCB1MCL1JAK1JAK2
SCHEMBL30955482 0.79 GPR119 (0.36) UCHL1GPR119ABCB1P2RX3MCL1
SCHEMBL30955474 0.79 SIRT2 (0.39) UCHL1ABCB1CYP1A2POLBCYP3A4

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