SCHEMBL30656016

SCHEMBL30656016

Cc1sc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)N[C@@H](CO)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.36
OPRL1 P41146 1/20 0.33
SCN9A Q15858 2/20 0.33
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
GPR132 Q9UNW8 2/20 0.31
MAOB P27338 1/20 0.31
EDNRA P25101 1/20 0.31
CYP3A4 P08684 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30656176 1.00 CD38 (0.36) CD38OPRL1SCN9APPARDPPARA
SCHEMBL30656258 0.90 CD38 (0.37) CD38OPRL1SCN9AGPR132MAOB
SCHEMBL30656226 0.90 CD38 (0.37) CD38OPRL1SCN9AGPR132MAOB
SCHEMBL30656198 0.88 SCN9A (0.33) SCN9APDCD1CD274EDNRA
SCHEMBL26792926 0.88 SCN9A (0.33) SCN9APDCD1CD274EDNRA
SCHEMBL30656325 0.88 SCN9A (0.33) SCN9APDCD1CD274EDNRA
SCHEMBL30656105 0.87 CD274 (0.34) CD274EDNRAL3MBTL1
SCHEMBL26793645 0.87 CD274 (0.34) CD274EDNRAL3MBTL1
SCHEMBL30656331 0.85 ALDH1A1 (0.38) CD38OPRL1PPARDPPARAMAOB
SCHEMBL31350334 0.85 CD38 (0.42) CD38OPRL1PPARDPPARAMAOB

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-4532013-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2025-04-09 EP claimed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO claimed
EP-4532013-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2025-04-09 EP disclosed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed