SCHEMBL27158488

SCHEMBL27158488

O=C(O)N1C[C@@H]2[C@@H](COc3cccc(C(F)(F)F)n3)[C@@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 7/20 0.41
HCRTR1 O43613 6/20 0.41
LOXL2 Q9Y4K0 2/20 0.38
MGLL Q99685 1/20 0.38
HTR1A P08908 2/20 0.37
P2RX7 Q99572 1/20 0.36
FFAR1 O14842 1/20 0.36
KCNH2 Q12809 2/20 0.36
SCN7A Q01118 1/20 0.36
SCN9A Q15858 1/20 0.36
RXRA P19793 1/20 0.36
CNR2 P34972 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL27204297 1.00 HCRTR2 (0.41) HCRTR2HCRTR1LOXL2MGLLHTR1A
SCHEMBL29912773 0.85 IDH1 (0.44) HCRTR2HCRTR1LOXL2
SCHEMBL27158685 0.83 HCRTR2 (0.40) HCRTR2HCRTR1LOXL2MGLLHTR1A
SCHEMBL27158681 0.83 HCRTR2 (0.40) HCRTR2HCRTR1LOXL2MGLLHTR1A
SCHEMBL29913026 0.81 HCRTR2 (0.38) HCRTR2HCRTR1LOXL2MGLLHTR1A
SCHEMBL27157981 0.81 HCRTR2 (0.38) HCRTR2HCRTR1LOXL2MGLLHTR1A
SCHEMBL27204216 0.81 HCRTR2 (0.38) HCRTR2HCRTR1LOXL2MGLLHTR1A
SCHEMBL29912797 0.81 P2RX7 (0.46) HCRTR2HCRTR1LOXL2MGLLHTR1A
SCHEMBL29912961 0.81 HCRTR2 (0.38) HCRTR2HCRTR1LOXL2HTR1AP2RX7
SCHEMBL29912812 0.79 GHSR (0.44) LOXL2MGLLHTR1A

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-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed