SCHEMBL10855700

SCHEMBL10855700

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.58
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.50
TRPA1 O75762 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.49
ABCC8 Q09428 1/20 0.48
KCNJ11 Q14654 1/20 0.48
ALDH1A1 P00352 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
SCHEMBL10650780 0.90 ADORA2B (0.56) ADORA2BLMNASMN1; SMN2RXFP1MAPK1
SCHEMBL10649477 0.89 ADORA2B (0.58) ADORA2BLMNASMN1; SMN2RXFP1MAPK1
SCHEMBL10653643 0.88 RXFP1 (0.57) ADORA2BLMNASMN1; SMN2RXFP1MAPK1
SCHEMBL10652471 0.88 ADORA2B (0.50) ADORA2BLMNASMN1; SMN2RXFP1MAPK1
SCHEMBL10649692 0.88 ADORA2B (0.50) ADORA2BLMNASMN1; SMN2RXFP1MAPK1
SCHEMBL10649906 0.88 ADORA2B (0.59) ADORA2BLMNASMN1; SMN2RXFP1MAPK1
SCHEMBL10649699 0.87 ADORA2B (0.54) ADORA2BLMNASMN1; SMN2RXFP1MAPK1
SCHEMBL10649550 0.87 ADORA2B (0.49) ADORA2BLMNASMN1; SMN2RXFP1MAPK1
SCHEMBL10653621 0.86 ADORA2B (0.57) ADORA2BLMNASMN1; SMN2RXFP1MAPK1
SCHEMBL10651963 0.86 ADORA2B (0.57) ADORA2BLMNASMN1; SMN2RXFP1MAPK1

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
US-4565817-A ANTITUSSIVE AGENTS CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1986-01-21 US disclosed