SCHEMBL11377411

SCHEMBL11377411

CCCCOCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.59
ADORA1 P30542 1/20 0.58
RXFP1 Q9HBX9 3/20 0.57
MAPT P10636 1/20 0.57
LMNA P02545 1/20 0.57
ADORA2A P29274 1/20 0.55

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
SCHEMBL11380544 0.92 ADORA2B (0.59) ADORA2BRXFP1MAPTLMNAADORA2A
SCHEMBL11374923 0.86 ADORA2B (0.62) ADORA2BRXFP1MAPTLMNAADORA2A
SCHEMBL11376320 0.85 PDE1A (0.58) ADORA2BADORA2A
SCHEMBL11380455 0.84 ADORA2B (0.54) ADORA2BADORA1RXFP1MAPTLMNA
SCHEMBL31482443 0.83 ADORA2B (0.81) ADORA2BRXFP1MAPTLMNAADORA2A
SCHEMBL4384952 0.83 ADORA2B (0.78) ADORA2BRXFP1MAPTLMNAADORA2A
SCHEMBL11381763 0.83 ADORA2B (0.56) ADORA2BRXFP1MAPTLMNA
Dimethylamine SCHEMBL11381767 0.83 SMN1; SMN2 (0.59) ADORA2BRXFP1MAPTLMNAADORA2A
SCHEMBL17748272 0.82 ADORA1 (0.76) ADORA2BADORA1RXFP1MAPTLMNA
SCHEMBL19036787 0.82 ADORA2B (0.69) ADORA2BRXFP1MAPTLMNA

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