SCHEMBL29951637

SCHEMBL29951637

OB(O)c1cc(F)ccc1OCC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.45
HTR2A P28223 2/20 0.45
HTR2B P41595 2/20 0.45
RBP4 P02753 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
PARP10 Q53GL7 1/20 0.39
SCN9A Q15858 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR6 P50406 1/20 0.39
BRD4 O60885 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MGLL Q99685 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL29953013 0.99 HTR2C (0.44) HTR2CHTR2AHTR2BRBP4PTGDR2
SCHEMBL15068105 0.94 HTR2A (0.50) HTR2CHTR2AHTR2BRBP4BRD4
SCHEMBL13722614 0.87 HTR2A (0.45) HTR2CHTR2AHTR2BRBP4SCN9A
SCHEMBL29953902 0.84 PTGDR2 (0.41) PTGDR2PARP10SLC6A4HTR6PDE4B
SCHEMBL16034960 0.83 HTR2A (0.48) HTR2CHTR2AHTR2BRBP4BRD4
SCHEMBL29954206 0.82 PTGDR2 (0.43) PTGDR2PARP10SLC6A4HTR6
SCHEMBL29951542 0.81 TSHR (0.45) SCN9A
SCHEMBL24224805 0.80 HPGD (0.49) HTR2CHTR2AHTR2BSLC6A4HTR6
SCHEMBL29957281 0.80 LIPE (0.50) HTR2CPARP10MCHR1
SCHEMBL29954455 0.80 TSHR (0.48) SCN9ABRD4

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