SCHEMBL8314188

SCHEMBL8314188

COc1ccccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
S1PR5 Q9H228 3/20 0.47
S1PR1 P21453 2/20 0.47
HSD11B1 P28845 1/20 0.46
CHRM4 P08173 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
ALDH1A1 P00352 3/20 0.46
RORC P51449 1/20 0.46
KDM4E B2RXH2 2/20 0.44
SLC6A12 P48065 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
SCHEMBL8782084 1.00 MEN1 (0.54) MEN1KMT2AS1PR5S1PR1HSD11B1
SCHEMBL8782076 1.00 MEN1 (0.54) MEN1KMT2AS1PR5S1PR1HSD11B1
SCHEMBL8314184 1.00 MEN1 (0.54) MEN1KMT2AS1PR5S1PR1HSD11B1
SCHEMBL8317312 0.91 SLC6A12 (0.50) MEN1KMT2AS1PR5S1PR1SIGMAR1
SCHEMBL8317313 0.91 SLC6A12 (0.50) MEN1KMT2AS1PR5S1PR1SIGMAR1
SCHEMBL8686278 0.90 MEN1 (0.52) MEN1KMT2AHSD11B1CHRM4SIGMAR1
SCHEMBL8686279 0.90 MEN1 (0.52) MEN1KMT2AHSD11B1CHRM4SIGMAR1
SCHEMBL8314205 0.88 DRD2 (0.55) MEN1KMT2AS1PR5S1PR1SIGMAR1
SCHEMBL8313881 0.88 DRD2 (0.55) MEN1KMT2AS1PR5S1PR1SIGMAR1
SCHEMBL8313885 0.88 DRD2 (0.55) MEN1KMT2AS1PR5S1PR1SIGMAR1

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