SCHEMBL9137154

SCHEMBL9137154

CN1C[C@@H](CO)[C@H](c2ccc(F)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
SLC6A4 P31645 2/20 0.42
HTR2B P41595 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM1A O60341 3/20 0.39
MAOB P27338 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
SCHEMBL8782533 1.00 SLC6A2 (0.42) SLC6A2HTR2AHTR2CSLC6A4HTR2B
SCHEMBL8782674 1.00 SLC6A2 (0.42) SLC6A2HTR2AHTR2CSLC6A4HTR2B
SCHEMBL9137150 1.00 SLC6A2 (0.42) SLC6A2HTR2AHTR2CSLC6A4HTR2B
SCHEMBL8782526 1.00 SLC6A2 (0.42) SLC6A2HTR2AHTR2CSLC6A4HTR2B
SCHEMBL3921318 0.86 SLC6A3 (0.52) SLC6A3
SCHEMBL1944023 0.86 SLC6A3 (0.52) SLC6A3
SCHEMBL5593759 0.86 SLC6A3 (0.52) SLC6A3
SCHEMBL1944024 0.86 SLC6A3 (0.52) SLC6A3
SCHEMBL7679057 0.86 SLC6A3 (0.52) SLC6A3
SCHEMBL5593754 0.86 SLC6A3 (0.52) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407946-A Pyrrolidine compounds which are useful as thromboxane AZ-inhibitors ADIR ET COMPAGNIE (FR) 1995-04-18 US disclosed
US-5387591-A Possesses antithromboxane A2 properties; useful in treatment and prevention of thrombotic diseases ADIR ET COMPAGNIE (FR) 1995-02-07 US disclosed