SCHEMBL10651963

SCHEMBL10651963

Cn1c(=O)c2c(ncn2Cc2noc(CCl)n2)n(C)c1=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
RXFP1 Q9HBX9 1/20 0.56
LMNA P02545 3/20 0.55
MAPK1 P28482 1/20 0.55
ABCC8 Q09428 1/20 0.53
KCNJ11 Q14654 1/20 0.53
HTT P42858 3/20 0.51
UBE2N P61088 2/20 0.51
TRPA1 O75762 2/20 0.51
CASP1 P29466 1/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL10650780 0.92 ADORA2B (0.56) ADORA2BMAPTSMN1; SMN2RXFP1LMNA
SCHEMBL10649477 0.91 ADORA2B (0.58) ADORA2BMAPTSMN1; SMN2RXFP1LMNA
SCHEMBL10651743 0.91 ADORA2B (0.61) ADORA2BMAPTSMN1; SMN2RXFP1LMNA
SCHEMBL10649906 0.90 ADORA2B (0.59) ADORA2BMAPTSMN1; SMN2RXFP1LMNA
SCHEMBL10649699 0.89 ADORA2B (0.54) ADORA2BMAPTSMN1; SMN2RXFP1LMNA
SCHEMBL10653621 0.88 ADORA2B (0.57) ADORA2BMAPTSMN1; SMN2RXFP1LMNA
Hydrochloric Acid SCHEMBL10654590 0.87 ADORA2B (0.56) ADORA2BMAPTSMN1; SMN2RXFP1LMNA
SCHEMBL10855700 0.86 ADORA2B (0.58) ADORA2BMAPTSMN1; SMN2RXFP1LMNA
SCHEMBL10650206 0.86 ADORA2B (0.51) ADORA2BMAPTSMN1; SMN2RXFP1LMNA
SCHEMBL10651589 0.86 LMNA (0.52) ADORA2BMAPTSMN1; SMN2RXFP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0089028-B1 THEOPHYLLIN DERIVATIVES, AND PROCESS FOR THEIR PREPARATION CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-05-25 EP claimed
EP-0089028-A1 Theophyllin derivatives, and process for their preparation CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1983-09-21 EP claimed
EP-0089028-B1 THEOPHYLLIN DERIVATIVES, AND PROCESS FOR THEIR PREPARATION CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-05-25 EP disclosed
US-4565817-A ANTITUSSIVE AGENTS CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1986-01-21 US disclosed
EP-0089028-A1 Theophyllin derivatives, and process for their preparation CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1983-09-21 EP disclosed