SCHEMBL6995428

SCHEMBL6995428

Cc1nn(C(CCCc2ccccc2)C(C)O)c(N)c1OC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
DRD3 P35462 2/20 0.38
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
PDE2A O00408 3/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LPAR1 Q92633 1/20 0.35
MAPK1 P28482 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
GRIK1 P39086 1/20 0.34
FAAH O00519 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
SCHEMBL6993975 0.88 LMNA (0.36) PDE2ALMNAPDE4APDE4BPDE4C
SCHEMBL7885863 0.84 MEN1 (0.42) DRD2HRH2HRH1DRD3HRH4
SCHEMBL7409812 0.82 PDE2A (0.36) DRD2HRH2HRH1DRD3HRH4
SCHEMBL7510987 0.81 LMNA (0.39) LMNAMEN1KMT2APDE4APDE4B
SCHEMBL7383720 0.80 FAAH (0.33) GRIK1FAAH
SCHEMBL6992446 0.80 LMNA (0.38) LMNALPAR1PDE4APDE4BPDE4C
SCHEMBL6997387 0.78 TSHR (0.50) PDE2ALMNAMEN1KMT2AFAAH
SCHEMBL6997649 0.76 LMNA (0.38) LMNAMEN1KMT2APDE4APDE4B
SCHEMBL7895726 0.76 PDE2A (0.41) PDE2AMEN1KMT2APDE4APDE4B
SCHEMBL7851968 0.75 DAGLA (0.37) MEN1KMT2APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880502-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1998-12-02 EP claimed
WO-1997028129-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-08-07 WO claimed
EP-0973774-B1 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AG (DE) 2003-01-22 EP disclosed
EP-0880502-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028129-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed