SCHEMBL13809296

SCHEMBL13809296

COC(=O)C1CN(Cc2ccccc2)CC1c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.58
RORC P51449 1/20 0.55
SLC6A3 Q01959 3/20 0.48
SLC6A2 P23975 2/20 0.48
F10 P00742 3/20 0.47
PRSS1 P07477 2/20 0.47

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
SCHEMBL30693221 1.00 SLC6A4 (0.58) SLC6A4RORCSLC6A3SLC6A2F10
SCHEMBL1970755 1.00 SLC6A4 (0.58) SLC6A4RORCSLC6A3SLC6A2F10
SCHEMBL16070079 1.00 SLC6A4 (0.58) SLC6A4RORCSLC6A3SLC6A2F10
SCHEMBL7888069 0.91 RORC (0.57) SLC6A4RORCSLC6A3SLC6A2F10
SCHEMBL14498495 0.91 RORC (0.57) SLC6A4RORCSLC6A3SLC6A2F10
SCHEMBL4661703 0.91 RORC (0.57) SLC6A4RORCSLC6A3SLC6A2F10
SCHEMBL4661705 0.91 RORC (0.57) SLC6A4RORCSLC6A3SLC6A2F10
SCHEMBL5110560 0.91 RORC (0.57) SLC6A4RORCSLC6A3SLC6A2F10
SCHEMBL23951589 0.89 RORC (0.56) SLC6A4RORCSLC6A3SLC6A2
SCHEMBL2224784 0.89 RORC (0.56) SLC6A4RORCSLC6A3SLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530222-A Pyrrolidine compound and application thereof 上海交通大学医学院附属瑞金医院 2024-08-23 CN disclosed
EP-1957450-B1 SEROTONIN TRANSPORTER (SERT) INHIBITORS HOFFMANN LA ROCHE (CH) 2009-06-24 EP disclosed
WO-2007063009-A1 SEROTONIN TRANSPORTER (SERT) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed