SCHEMBL11388656

SCHEMBL11388656

CN(C)C(=O)CCCOCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.55
RXFP1 Q9HBX9 4/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.52
ADORA1 P30542 1/20 0.51
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL11380455 0.90 ADORA2B (0.54) ADORA2BRXFP1MAPK1SMN1; SMN2LMNA
SCHEMBL11385288 0.87 PDE1A (0.52) ADORA2BSMN1; SMN2LMNA
SCHEMBL11377411 0.82 ADORA2B (0.59) ADORA2BRXFP1LMNAADORA1MAPT
SCHEMBL11381763 0.81 ADORA2B (0.56) ADORA2BRXFP1SMN1; SMN2LMNAMAPT
SCHEMBL11380544 0.80 ADORA2B (0.59) ADORA2BRXFP1SMN1; SMN2LMNAMAPT
SCHEMBL11374923 0.79 ADORA2B (0.62) ADORA2BRXFP1MAPK1SMN1; SMN2LMNA
SCHEMBL11382729 0.78 ADORA2B (0.45) ADORA2BRXFP1MAPK1SMN1; SMN2LMNA
SCHEMBL11378214 0.78 PDE1A (0.51) ADORA2BSMN1; SMN2LMNA
Dimethylamine SCHEMBL11381767 0.76 SMN1; SMN2 (0.59) ADORA2BRXFP1MAPK1SMN1; SMN2LMNA
SCHEMBL17748272 0.76 ADORA1 (0.76) ADORA2BRXFP1MAPK1LMNAADORA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4061753-A Treating psoriasis with transient pro-drug forms of xanthine derivatives INTERX RESEARCH CORPORATION (US) 1977-12-06 US claimed
US-4275064-A Transient pro-drug forms of xanthine derivatives and their use as topical anti-inflammatory agents INTERX RESEARCH CORPORATION (US) 1981-06-23 US disclosed
US-4061753-A Treating psoriasis with transient pro-drug forms of xanthine derivatives INTERX RESEARCH CORPORATION (US) 1977-12-06 US disclosed