SCHEMBL8071813

SCHEMBL8071813

C=CCCCCCCCCCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.76
▸ ADORA2B P29275 11/20 0.71
▸ MAPK1 P28482 1/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.64
▸ LMNA P02545 2/20 0.62
▸ MAPT P10636 1/20 0.62
▸ PDE4A P27815 1/20 0.62
▸ ADORA2A P29274 1/20 0.62
▸ PDE4B Q07343 1/20 0.62
▸ PDE4C Q08493 1/20 0.62
▸ PDE4D Q08499 1/20 0.62
▸ TSHR P16473 1/20 0.60
▸ HTR7 P34969 1/20 0.56
▸ HTR6 P50406 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL10861746 1.00 ADORA1 (0.76) ADORA1ADORA2BMAPK1RXFP1LMNA
SCHEMBL10813433 0.99 ADORA1 (0.74) ADORA1ADORA2BMAPK1RXFP1LMNA
SCHEMBL10861102 0.96 ADORA1 (0.74) ADORA1ADORA2BMAPK1RXFP1LMNA
SCHEMBL10856181 0.90 ADORA2B (0.76) ADORA1ADORA2BMAPK1RXFP1LMNA
SCHEMBL16120983 0.90 ADORA2B (0.85) ADORA2BMAPK1RXFP1LMNAMAPT
SCHEMBL16120999 0.90 ADORA2B (0.85) ADORA2BMAPK1RXFP1LMNAMAPT
SCHEMBL16120989 0.90 ADORA2B (0.85) ADORA2BMAPK1RXFP1LMNAMAPT
SCHEMBL16120982 0.90 ADORA2B (0.85) ADORA2BMAPK1RXFP1LMNAMAPT
SCHEMBL16121000 0.90 ADORA2B (0.85) ADORA2BMAPK1RXFP1LMNAMAPT
SCHEMBL19969384 0.90 ADORA2B (0.85) ADORA2BMAPK1RXFP1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121270-A N-(EPOXYALKYL)XANTHINE DERIVATIVES WHICH MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI CELL THERAPEUTICS, INC. (US) 2000-09-19 — — US disclosed
US-5866576-A COMPOUNDS THAT ACT AS DRUGS ON THE CELLULAR AND BIOCHEMICAL LEVEL TO MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI. CELL THERAPEUTICS, INC. (US) 1999-02-02 — — US disclosed
US-5859017-A PREVENTING OR TREATING ALLERGIES; INHIBITING INTRACELLULAR GENERATION OF PHOSPHATIDIC ACID AND DIACYLGLYCEROL CELL THERAPEUTICS, INC. (US) 1999-01-12 — — US disclosed
EP-0662834-A4 NOVEL EPOXIDE-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-17 — — EP disclosed
EP-0662834-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-07-19 — — EP disclosed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 — — WO disclosed
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