SCHEMBL7974758

SCHEMBL7974758

COC1=C(OC)C(=O)C2=C(CCC(CCOc3ccccn3)CC2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
PDE4A P27815 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
KDM1A O60341 1/20 0.35
TSHR P16473 1/20 0.33
MAOB P27338 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL7974787 0.82 TEAD1 (0.45) MAOB
SCHEMBL7961107 0.81 MEN1 (0.44) IDO1
SCHEMBL7961186 0.80 HTR1A (0.43) HTR1AADRA1DADRA1AADRA1BPDE4A
SCHEMBL7971449 0.79 MAOB (0.44) MAOB
SCHEMBL7974340 0.78 CHRNB2 (0.44)
SCHEMBL7971414 0.78 PPARD (0.43) MAOB
SCHEMBL7974650 0.77 MGAT2 (0.42) MAOB
SCHEMBL7974398 0.76 MAOB (0.39) MAOB
SCHEMBL7974962 0.76 MAOB (0.40) MAOB
SCHEMBL7961502 0.76 MAOB (0.40) GPR84MAOB

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
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed