SCHEMBL8317646

SCHEMBL8317646

COc1ccc(Cl)cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 4/20 0.51
S1PR1 P21453 3/20 0.51
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
DPP4 P27487 1/20 0.46
DRD4 P21917 1/20 0.46
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
RORC P51449 1/20 0.44
MAPK1 P28482 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL8317632 1.00 S1PR5 (0.51) S1PR5S1PR1DRD2DRD3DPP4
SCHEMBL8685134 0.91 S1PR1 (0.47) S1PR5S1PR1DRD2DRD3DPP4
SCHEMBL8685136 0.91 S1PR1 (0.47) S1PR5S1PR1DRD2DRD3DPP4
SCHEMBL8314161 0.91 DPP4 (0.49) S1PR5S1PR1DRD2DRD3DPP4
SCHEMBL8314157 0.91 DPP4 (0.49) S1PR5S1PR1DRD2DRD3DPP4
SCHEMBL8314202 0.90 DRD2 (0.55) S1PR5S1PR1DRD2DRD3SIGMAR1
SCHEMBL8314205 0.90 DRD2 (0.55) S1PR5S1PR1DRD2DRD3SIGMAR1
SCHEMBL8783153 0.89 TSHR (0.49) S1PR5S1PR1DRD2DRD3DRD4
SCHEMBL8318711 0.88 RORC (0.51) S1PR5S1PR1DRD2DRD3DRD4
SCHEMBL8318715 0.88 RORC (0.51) S1PR5S1PR1DRD2DRD3DRD4

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