SCHEMBL20198331

SCHEMBL20198331

O=C1C(O)c2cc(Br)ccc2C2C=CC(Br)=CC12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.35
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL17789201 0.81 HTR2A (0.34) EDNRBEDNRAOPRM1OPRD1OPRK1
SCHEMBL17792651 0.81 HTR2A (0.34) EDNRBEDNRAOPRM1OPRD1OPRK1
SCHEMBL17792653 0.81 HTR2A (0.34) EDNRBEDNRAOPRM1OPRD1OPRK1
SCHEMBL18829648 0.68 EDNRB (0.34) EDNRBEDNRA
SCHEMBL6727229 0.66 S100A4 (0.41) EDNRBEDNRA
SCHEMBL4409906 0.62 MAPK1 (0.44) CAMK2AEDNRBEDNRA
SCHEMBL13645244 0.60 MEN1 (0.35) EDNRBEDNRA
SCHEMBL10043585 0.60 KDM1A (0.33)
SCHEMBL13298453 0.59 METAP1 (0.45)
SCHEMBL29485719 0.57 DYRK1A (0.56) EDNRBEDNRA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 EP disclosed