SCHEMBL8317312

SCHEMBL8317312

COc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
BCHE P06276 3/20 0.46
BACE1 P56817 3/20 0.46
ACHE P22303 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
GAA P10253 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44

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
SCHEMBL8317313 1.00 SLC6A12 (0.50) SLC6A12MEN1KMT2AMAPTKDM4E
SCHEMBL8690463 0.91 SLC6A12 (0.51) SLC6A12MEN1KMT2AMAPTKDM4E
SCHEMBL8690461 0.91 SLC6A12 (0.51) SLC6A12MEN1KMT2AMAPTKDM4E
SCHEMBL8314184 0.91 MEN1 (0.54) SLC6A12MEN1KMT2AKDM4ESIGMAR1
SCHEMBL8782076 0.91 MEN1 (0.54) SLC6A12MEN1KMT2AKDM4ESIGMAR1
SCHEMBL8782084 0.91 MEN1 (0.54) SLC6A12MEN1KMT2AKDM4ESIGMAR1
SCHEMBL8314188 0.91 MEN1 (0.54) SLC6A12MEN1KMT2AKDM4ESIGMAR1
SCHEMBL8316104 0.89 S1PR5 (0.46) SLC6A12SIGMAR1DRD2DRD3S1PR1
SCHEMBL8316109 0.89 S1PR5 (0.46) SLC6A12SIGMAR1DRD2DRD3S1PR1
SCHEMBL6215581 0.86 RORC (0.48) SLC6A12MEN1KMT2AKDM4ESIGMAR1

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