SCHEMBL20170725

SCHEMBL20170725

O=C1CCC2CCc3ccc(OCc4ccccc4)c4c3C2C1O4

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
DRD3 P35462 3/20 0.34
KDM1A O60341 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34

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
SCHEMBL20170645 0.81 OPRM1 (0.39)
SCHEMBL20170600 0.81 OPRM1 (0.39)
SCHEMBL20170836 0.75 L3MBTL1 (0.31)
SCHEMBL20170670 0.74 OPRD1 (0.34)
SCHEMBL20170716 0.74 OPRD1 (0.34)
SCHEMBL20170826 0.72
SCHEMBL13301271 0.67 ANPEP (0.33)
SCHEMBL20170697 0.66 HTR1A (0.34) HTR1ADRD2
SCHEMBL20170713 0.65 AGTR2 (0.41) HTR1AMAOAMAOBDRD2KDM1A
SCHEMBL12826658 0.63 OPRM1 (0.51)

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-2453895-B1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2018-05-23 EP disclosed