SCHEMBL30656114

SCHEMBL30656114

O=C(NCCN1CCOC1=O)c1c(C(F)F)sc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.44
FAAH O00519 1/20 0.42
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EDNRA P25101 1/20 0.40
SCN9A Q15858 1/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
NMT2 O60551 1/20 0.37
NMT1 P30419 1/20 0.37
PKM P14618 1/20 0.37
HTR3A P46098 1/20 0.37

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
SCHEMBL30656256 0.88 NAAA (0.44) NAAAFAAHLMNAMAPTKDM4E
SCHEMBL31350382 0.83 ALDH1A1 (0.40) NAAAFAAHLMNAMAPTHSD17B10
SCHEMBL30656349 0.80 ALOX5 (0.52) LMNAMAPTKDM4EHTTALDH1A1
SCHEMBL30656310 0.79 KDM4E (0.46) LMNAMAPTKDM4EHPGDHTT
SCHEMBL30656268 0.78 SLC6A5 (0.49) MAPTKMT2AEDNRAMAOAMAOB
SCHEMBL30656275 0.78 EDNRA (0.52) LMNAMAPTKDM4EHPGDHTT
SCHEMBL30656061 0.77 SLC6A5 (0.47) EDNRAMAOAMAOBHTR3A
SCHEMBL30656301 0.77 EDNRA (0.47) LMNAMAPTKDM4EHPGDHTT
SCHEMBL26793660 0.77 HTR3A (0.44) LMNAMAPTKDM4EHPGDHTT
SCHEMBL26661120 0.76 EDNRA (0.56) LMNAMAPTKDM4EHPGDHTT

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