SCHEMBL9203518

SCHEMBL9203518

CCOc1ccccc1Oc1ccccc1CN1C=NCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 4/20 0.40
KDM4E B2RXH2 3/20 0.40
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
DRD2 P14416 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2B P41595 1/20 0.39
ALDH1A1 P00352 3/20 0.38
THRB P10828 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL9447121 0.92 MAPT (0.51) MAPTL3MBTL1KDM4ETP53NPSR1
SCHEMBL9207834 0.86 KCNH2 (0.44) MAPTL3MBTL1KDM4ESLC6A2SLC6A4
SCHEMBL7859944 0.85 HTR1A (0.41) MAPTL3MBTL1KDM4ETP53POLB
SCHEMBL9447022 0.81 HTR1A (0.46) MAPTL3MBTL1KDM4ETP53NPSR1
SCHEMBL9447113 0.80 L3MBTL1 (0.45) MAPTL3MBTL1KDM4ETP53POLB
SCHEMBL9447066 0.73 ADRA2B (0.38) HTR1AMEN1GAAKMT2A
SCHEMBL7861096 0.72 KCNH2 (0.46) DRD4DRD3
SCHEMBL10998289 0.71 ALDH1A1 (0.60) MAPTL3MBTL1KDM4ENPSR1SLC6A2
SCHEMBL7854338 0.69 HTR1A (0.36) MAPTL3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL7861121 0.68 HRH3 (0.39) MAPTPOLBALOX15LMNA

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-0423802-B1 Phenoxy-heterocyclic compounds MERRELL DOW PHARMA (US) 1995-08-09 EP disclosed
US-5134154-A Phenoxy-heterocyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-28 US disclosed
EP-0423802-A1 Phenoxy-heterocyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-24 EP disclosed