SCHEMBL7974340

SCHEMBL7974340

COC1=C(OC)C(=O)C2=C(CCC(CCOc3cccnc3)CC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.44
CHRNA4 P43681 8/20 0.44
CHRNA3 P32297 3/20 0.43
CHRNA7 P36544 3/20 0.43
CHRNA1 P02708 2/20 0.43
CHRNB1 P11230 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNG P07510 1/20 0.43
CHRND Q07001 1/20 0.43
CHRNB3 Q05901 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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 0.85 TEAD1 (0.45) DRD2
SCHEMBL7971449 0.82 MAOB (0.44)
SCHEMBL7974660 0.81 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL7974650 0.80 MGAT2 (0.42)
SCHEMBL7974398 0.80 MAOB (0.39) DRD2
SCHEMBL7974962 0.79 MAOB (0.40)
SCHEMBL7961502 0.79 MAOB (0.40)
SCHEMBL7974758 0.78 HTR1A (0.39)
SCHEMBL7971414 0.78 PPARD (0.43)
SCHEMBL7974454 0.77 HRH3 (0.43)

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