SCHEMBL30229708

SCHEMBL30229708

O=C(O)ON1C(=O)CC(CC2c3ccccc3-c3ccccc32)C1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MT-CO2 P00403 1/20 0.36
ALOX5 P09917 1/20 0.36
FABP7 O15540 2/20 0.34
FABP5 Q01469 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1G O43497 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
HTR2A P28223 1/20 0.33
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 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
SCHEMBL334888 1.00 TSHR (0.40) TSHRMT-CO2ALOX5FABP7FABP5
SCHEMBL1279956 0.99 TSHR (0.40) TSHRMT-CO2ALOX5FABP7FABP5
SCHEMBL472820 0.91 TSHR (0.41) TSHRMT-CO2ALOX5FABP7FABP5
Lithium Ion SCHEMBL1279955 0.88 TSHR (0.39) TSHRMT-CO2ALOX5FABP7FABP5
SCHEMBL7714728 0.80 TSHR (0.39) TSHRFABP7FABP5MAPTCACNA1G
SCHEMBL622854 0.78 FABP5 (0.46) TSHRFABP7FABP5KMT2A
SCHEMBL30876356 0.78 FABP5 (0.46) TSHRFABP7FABP5KMT2A
SCHEMBL4605373 0.78 TSHR (0.40) TSHRMT-CO2ALOX5HTR2A
SCHEMBL23748027 0.77 LMNA (0.36) TSHRMT-CO2ALOX5MAPTCACNA1G
SCHEMBL618689 0.77 L3MBTL1 (0.54) TSHRL3MBTL1MAPTKMT2AGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688154-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - Portela & Ca., S.A. (PT) 2026-02-11 EP disclosed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed
EP-4373835-A1 MACROCYLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-05-29 EP disclosed
WO-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 WO disclosed