SCHEMBL10967466

SCHEMBL10967466

Cn1c(=O)c2c(ncn2CCC(O)Cl)n(C)c1=O

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.69
LMNA P02545 4/20 0.69
MAPT P10636 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
POLB P06746 1/20 0.69
RXFP1 Q9HBX9 2/20 0.60
MAPK1 P28482 2/20 0.60
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL10853379 0.86 ADORA2B (0.66) ADORA2BLMNAMAPTSMN1; SMN2POLB
SCHEMBL18399526 0.85 ADORA2B (0.68) ADORA2BLMNAMAPTSMN1; SMN2POLB
SCHEMBL16120984 0.85 ADORA2B (0.81) ADORA2BLMNAMAPTSMN1; SMN2POLB
SCHEMBL11539363 0.84 ADORA2B (0.67) ADORA2BLMNAMAPTSMN1; SMN2POLB
SCHEMBL10858566 0.83 LMNA (0.73) ADORA2BLMNAMAPTSMN1; SMN2POLB
SCHEMBL10768492 0.83 LMNA (0.78) ADORA2BLMNAMAPTSMN1; SMN2POLB
SCHEMBL13944619 0.82 LMNA (0.81) ADORA2BLMNAMAPTSMN1; SMN2POLB
SCHEMBL8697314 0.82 LMNA (0.71) ADORA2BLMNAMAPTSMN1; SMN2POLB
SCHEMBL2925220 0.82 LMNA (0.71) ADORA2BLMNAMAPTSMN1; SMN2POLB
SCHEMBL5265296 0.82 LMNA (0.81) ADORA2BLMNAMAPTSMN1; SMN2POLB

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
EP-0049494-B1 ESTERS OF 7-HYDROXYALKYL-1,3-DIMETHYL XANTHINES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS LIPID DIMINISHERS King Consult GmbH (DE) 1985-04-17 EP disclosed