SCHEMBL29487562

SCHEMBL29487562

Fc1ccc(F)c([C@H]2CC[C@@H](OCc3ncccc3Br)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 0.40
HTR1A P08908 6/20 0.37
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
LPL P06858 1/20 0.33
LIPC P11150 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
HTR6 P50406 1/20 0.33
DRD4 P21917 1/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL28671808 1.00 HCRTR2 (0.40) HCRTR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL28692952 0.83 HTR1A (0.41) HCRTR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL29487573 0.83 HTR1A (0.41) HCRTR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL23293093 0.83 HCRTR2 (0.40) HCRTR2DRD4
SCHEMBL29487560 0.83 HCRTR2 (0.40) HCRTR2DRD4
SCHEMBL23293095 0.83 HCRTR2 (0.40) HCRTR2DRD4
SCHEMBL29487583 0.82 HCRTR2 (0.35) HCRTR2LPLLIPCLIPGDRD4
SCHEMBL28675350 0.82 HCRTR2 (0.35) HCRTR2LPLLIPCLIPGDRD4
SCHEMBL30870472 0.81 KDM1A (0.48) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL24497835 0.81 HCRTR2 (0.38) HCRTR2HTR1ASLC6A2SLC6A4LPL

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
CN-114181136-A Substituted piperidine compounds and uses thereof 武田药品工业株式会社 2022-03-15 CN disclosed