SCHEMBL29948138

SCHEMBL29948138

O=C(c1ccc(F)cn1)N1CCCC(O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.50
KCNH2 Q12809 1/20 0.50
SCN9A Q15858 2/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 2/20 0.46
PRKAA2 P54646 1/20 0.45
VNN1 O95497 1/20 0.45
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CLK2 P49760 1/20 0.44
ROCK1 Q13464 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44
STK17A Q9UEE5 1/20 0.44
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44

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
SCHEMBL23708084 0.82 HRH3 (0.55) HRH3KCNH2SCN9AL3MBTL3L3MBTL1
SCHEMBL21379310 0.82 PLA2G1B (0.47) SCN9AL3MBTL3L3MBTL1KMT2AVNN1
SCHEMBL21379308 0.82 PLA2G1B (0.47) SCN9AL3MBTL3L3MBTL1KMT2AVNN1
SCHEMBL21379476 0.82 PLA2G1B (0.47) SCN9AL3MBTL3L3MBTL1KMT2AVNN1
SCHEMBL29944135 0.81 HRH3 (0.54) HRH3KCNH2L3MBTL3L3MBTL1KMT2A
SCHEMBL28940974 0.79 KMT2A (0.52) HRH3KCNH2SCN9AL3MBTL3L3MBTL1
SCHEMBL28292599 0.79 KMT2A (0.52) HRH3KCNH2SCN9AL3MBTL3L3MBTL1
SCHEMBL28292628 0.79 KMT2A (0.52) HRH3KCNH2SCN9AL3MBTL3L3MBTL1
SCHEMBL1972661 0.79 NPC1 (0.59) L3MBTL1KMT2ANPC1RAB9A
SCHEMBL193622 0.79 NPC1 (0.59) L3MBTL1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4077282-A1 PRMT5 INHIBITORS Merck Sharp & Dohme LLC (US) 2022-10-26 EP disclosed