SCHEMBL6380596

SCHEMBL6380596

CC#CCn1cnc2c1c(=O)n(C)c(=O)n2OC(=O)C(C)(C)CC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
ADORA2B P29275 9/20 0.44
PDE4A P27815 7/20 0.43
PDE4B Q07343 7/20 0.43
PDE4C Q08493 7/20 0.43
PDE4D Q08499 7/20 0.43
ADORA2A P29274 3/20 0.43
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL6381761 0.83 SMN1; SMN2 (0.60) SMN1; SMN2ADORA2BLMNAABCC8KCNJ11
SCHEMBL6383655 0.82 PDE4A (0.35) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C
SCHEMBL6380593 0.78 PDE4A (0.48) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C
SCHEMBL2957435 0.76 PDE4A (0.48) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C
SCHEMBL6381937 0.74 P2RX7 (0.40) SMN1; SMN2ADORA2BMAPTLMNAABCC8
SCHEMBL6381655 0.70 PDE4A (0.52) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL5771868 0.69 TRPA1 (0.41) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C
SCHEMBL28319203 0.68 ADORA2B (0.56) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C
SCHEMBL6383651 0.67 KMT2A (0.37) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C
SCHEMBL5790131 0.67 TRPA1 (0.38) SMN1; SMN2ADORA2BPDE4APDE4BPDE4C

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-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed