SCHEMBL7811183

SCHEMBL7811183

COC(=O)[C@@H](Oc1nc(OC)cc(OC)n1)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 0.55
EDNRA P25101 18/20 0.55
CYP1A2 P05177 1/20 0.42

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
SCHEMBL9459403 0.88 EDNRB (0.53) EDNRBEDNRA
SCHEMBL9367683 0.86 EDNRB (0.66) EDNRBEDNRA
SCHEMBL9372708 0.84 EDNRB (0.64) EDNRBEDNRA
SCHEMBL9059035 0.84 EDNRB (0.50) EDNRBEDNRACYP1A2
SCHEMBL9372696 0.83 EDNRB (0.52) EDNRBEDNRA
SCHEMBL9371781 0.83 EDNRB (0.51) EDNRBEDNRA
SCHEMBL6781616 0.82 EDNRB (0.65) EDNRBEDNRA
SCHEMBL8703985 0.80 EDNRB (0.62) EDNRBEDNRA
SCHEMBL7808396 0.79 EDNRB (0.45) EDNRBEDNRACYP1A2
SCHEMBL12095218 0.79 EDNRB (0.45) EDNRBEDNRACYP1A2

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
EP-0802193-B1 Process for the preparation of substituted pyrimidines LONZA AG (CH) 2001-10-17 EP disclosed
US-5840892-A Process for the preparation of substituted pyrimidines LONZA AG (CH) 1998-11-24 US disclosed
EP-0802193-A1 Process for the preparation of substituted pyrimidines LONZA AG (CH) 1997-10-22 EP disclosed