SCHEMBL29953013

SCHEMBL29953013

OB(O)c1cc(F)ccc1OCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
PARP10 Q53GL7 2/20 0.41
SLC6A4 P31645 1/20 0.40
HTR6 P50406 1/20 0.40
RBP4 P02753 1/20 0.40
SCN9A Q15858 3/20 0.40
PARP15 Q460N3 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MCHR1 Q99705 1/20 0.39
C5AR1 P21730 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL29951637 0.99 HTR2C (0.45) HTR2CHTR2AHTR2BPTGDR2PARP10
SCHEMBL15068105 0.93 HTR2A (0.50) HTR2CHTR2AHTR2BRBP4
SCHEMBL13722614 0.86 HTR2A (0.45) HTR2CHTR2AHTR2BRBP4SCN9A
SCHEMBL29954206 0.84 PTGDR2 (0.43) PTGDR2PARP10SLC6A4HTR6PARP15
SCHEMBL29953902 0.82 PTGDR2 (0.41) PTGDR2PARP10SLC6A4HTR6PARP15
SCHEMBL29957281 0.82 LIPE (0.50) HTR2CPARP10PARP15MCHR1C5AR1
SCHEMBL16034960 0.82 HTR2A (0.48) HTR2CHTR2AHTR2BRBP4
SCHEMBL23500827 0.81 PARP10 (0.39) PARP10SLC6A4HTR6SCN9APARP15
SCHEMBL29405422 0.81 PARP10 (0.39) PARP10SLC6A4HTR6SCN9APARP15
SCHEMBL29951542 0.80 TSHR (0.45) SCN9ANPC1RAB9A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed