SCHEMBL27166111

SCHEMBL27166111

N#CC(=C1CCN(C(=O)O)CC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.54
HSD11B1 P28845 1/20 0.43
MGLL Q99685 1/20 0.42
HRH3 Q9Y5N1 4/20 0.41
EPHX2 P34913 5/20 0.40
PREP P48147 1/20 0.40
RAPGEF3 O95398 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
PANK3 Q9H999 1/20 0.38
LSS P48449 1/20 0.37
FAAH O00519 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL30055079 0.85 GPR119 (0.53) PROKR1HSD11B1MGLLHRH3EPHX2
SCHEMBL27166133 0.84 PROKR1 (0.49) PROKR1HSD11B1MGLLEPHX2PREP
SCHEMBL28392718 0.83 MEN1 (0.44) PROKR1HSD11B1MGLL
SCHEMBL30055300 0.83 PROKR1 (0.51) PROKR1HSD11B1MGLLHRH3EPHX2
SCHEMBL27152941 0.81 HSD11B1 (0.39) PROKR1HSD11B1NPC1RAB9A
SCHEMBL27166082 0.81 EPHX2 (0.53) PROKR1HSD11B1MGLLHRH3EPHX2
SCHEMBL27166091 0.81 PROKR1 (0.49) PROKR1HSD11B1MGLLHRH3EPHX2
SCHEMBL27166089 0.81 PROKR1 (0.49) PROKR1HSD11B1MGLLEPHX2FAAH
SCHEMBL29205141 0.80 PROKR1 (0.48) PROKR1HSD11B1MGLLHRH3EPHX2
SCHEMBL2490804 0.80 CHRNB2 (0.43) PROKR1

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-4334289-A1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF Organon R&D Finland Ltd (FI) 2024-03-13 EP disclosed