SCHEMBL8314161

SCHEMBL8314161

COc1cc(Cl)ccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.49
S1PR5 Q9H228 5/20 0.48
S1PR1 P21453 3/20 0.48
DRD2 P14416 5/20 0.47
DRD3 P35462 5/20 0.47
DRD4 P21917 3/20 0.46
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RORC P51449 1/20 0.44
FAAH O00519 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 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
SCHEMBL8314157 1.00 DPP4 (0.49) DPP4S1PR5S1PR1DRD2DRD3
SCHEMBL8685048 0.91 DPP4 (0.47) DPP4S1PR5S1PR1DRD2DRD3
SCHEMBL8685043 0.91 DPP4 (0.47) DPP4S1PR5S1PR1DRD2DRD3
SCHEMBL8317646 0.91 S1PR5 (0.51) DPP4S1PR5S1PR1DRD2DRD3
SCHEMBL8317632 0.91 S1PR5 (0.51) DPP4S1PR5S1PR1DRD2DRD3
SCHEMBL8313885 0.90 DRD2 (0.55) S1PR5S1PR1DRD2DRD3KDM4E
SCHEMBL8313881 0.90 DRD2 (0.55) S1PR5S1PR1DRD2DRD3KDM4E
SCHEMBL23215015 0.88 S1PR5 (0.51) S1PR5S1PR1DRD2DRD3DRD4
SCHEMBL29886286 0.88 S1PR5 (0.51) S1PR5S1PR1DRD2DRD3DRD4
SCHEMBL8782076 0.87 MEN1 (0.54) S1PR5S1PR1DRD2DRD3KDM4E

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
EP-0691342-B1 Benzopyran derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-04-28 EP disclosed
US-5663191-A PSYCHIATRIC DISEASES, ANXIETY AND ANTIDEPRESSANTS ADIR ET COMPAGNIE (FR) 1997-09-02 US disclosed
EP-0691342-A1 Benzopyrane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP disclosed