SCHEMBL7206260

SCHEMBL7206260

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCN(C)CC2)nc1OCCCO

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.69
EDNRB P24530 11/20 0.69
ABCC3 O15438 1/20 0.65
ABCC4 O15439 1/20 0.65
NR1I2 O75469 1/20 0.65
ABCB11 O95342 1/20 0.65
DHPS P49366 1/20 0.65
NR1H3 Q13133 1/20 0.65
NR1I3 Q14994 1/20 0.65

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
SCHEMBL7206037 0.97 EDNRA (0.66) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7211006 0.93 EDNRA (0.70) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7204713 0.93 EDNRA (0.67) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7209691 0.92 EDNRA (0.66) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7204657 0.92 EDNRA (0.81) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7209832 0.92 EDNRA (0.68) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7205902 0.91 EDNRA (0.65) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7206461 0.90 EDNRA (0.64) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7209588 0.89 EDNRA (0.62) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8326900 0.88 EDNRA (0.82) EDNRAEDNRBABCC3ABCC4NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0852226-B1 PYRIMIDINE DERIVATIVES KOWA CO (JP) 2003-11-19 EP disclosed
EP-0852226-A1 PYRIMIDINE DERIVATIVES KOWA CO. LTD. (JP) 1998-07-08 EP disclosed