SCHEMBL8316104

SCHEMBL8316104

COc1c(Cl)cccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 10/20 0.46
S1PR1 P21453 7/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
PRKX P51817 1/20 0.43
ACVR1 Q04771 1/20 0.43
RORC P51449 1/20 0.42
DPP4 P27487 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
SLC6A12 P48065 1/20 0.41

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
SCHEMBL8316109 1.00 S1PR5 (0.46) S1PR5S1PR1DRD2DRD3PRKX
SCHEMBL8686321 0.91 DRD2 (0.43) S1PR5S1PR1DRD2DRD3RORC
SCHEMBL8686324 0.91 DRD2 (0.43) S1PR5S1PR1DRD2DRD3RORC
SCHEMBL8317313 0.89 SLC6A12 (0.50) S1PR5S1PR1DRD2DRD3SIGMAR1
SCHEMBL8317312 0.89 SLC6A12 (0.50) S1PR5S1PR1DRD2DRD3SIGMAR1
SCHEMBL1896734 0.84 S1PR5 (0.50) S1PR5S1PR1DRD2DRD3PRKX
SCHEMBL8447023 0.84 DRD4 (0.45) S1PR5S1PR1DRD2DRD3RORC
SCHEMBL8447022 0.84 DRD4 (0.45) S1PR5S1PR1DRD2DRD3RORC
SCHEMBL8782076 0.83 MEN1 (0.54) S1PR5S1PR1DRD2DRD3RORC
SCHEMBL8782084 0.83 MEN1 (0.54) S1PR5S1PR1DRD2DRD3RORC

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
EP-0691342-B1 Benzopyran derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-04-28 EP disclosed
EP-0691342-A1 Benzopyrane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP disclosed