SCHEMBL22276789

SCHEMBL22276789

CC(C)c1nc2c(o1)CC(C)(C)CCC(C)(C)C2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
AGTR1 P30556 1/20 0.31

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
SCHEMBL25098212 0.66 CHRNB2 (0.34) MAPTAGTR1
SCHEMBL14925513 0.62 GAA (0.34)
SCHEMBL18237788 0.62 CHRM3 (0.37)
SCHEMBL13086603 0.62
SCHEMBL18237707 0.61 PARP1 (0.33)
SCHEMBL19130948 0.61 SMN1; SMN2 (0.32)
SCHEMBL18237619 0.60 SMN1; SMN2 (0.31)
SCHEMBL23231148 0.60 CHRM5 (0.38)
SCHEMBL18237748 0.59
SCHEMBL19131905 0.59

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
WO-2020153433-A1 SUBSTITUENT-INCLUDING UREA COMPOUND 第一三共株式会社 2020-07-30 WO disclosed