SCHEMBL700195

SCHEMBL700195

CC(C)(C)OC(=O)N1CCCC1c1nc(-c2cccc(Oc3ccc(-c4cnc(C5CCCN5C(=O)O)[nH]4)cc3)c2)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.47
HPGDS O60760 3/20 0.45
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 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
SCHEMBL700194 1.00 PRCP (0.47) PRCPHPGDSHCRTR1HCRTR2NR1I2
SCHEMBL700213 0.98 PRCP (0.48) PRCPHPGDSHCRTR1HCRTR2NR1I2
SCHEMBL700212 0.98 PRCP (0.48) PRCPHPGDSHCRTR1HCRTR2NR1I2
SCHEMBL564194 0.97 PRCP (0.48) PRCPHPGDSHCRTR1HCRTR2NR1I2
SCHEMBL203497 0.97 PRCP (0.48) PRCPHPGDSHCRTR1HCRTR2NR1I2
SCHEMBL564193 0.97 PRCP (0.48) PRCPHPGDSHCRTR1HCRTR2NR1I2
SCHEMBL564388 0.95 PRCP (0.49) PRCPHPGDSHCRTR1HCRTR2NR1I2
SCHEMBL10039588 0.95 PRCP (0.49) PRCPHPGDSHCRTR1HCRTR2NR1I2
SCHEMBL564390 0.95 PRCP (0.49) PRCPHPGDSHCRTR1HCRTR2NR1I2
SCHEMBL564389 0.95 PRCP (0.49) PRCPHPGDSHCRTR1HCRTR2NR1I2

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-2421855-A1 DIARYL ETHERS Tibotec Pharmaceuticals (IE) 2012-02-29 EP disclosed
WO-2010122162-A1 DIARYL ETHERS TIBOTEC PHARMACEUTICALS (IE) 2010-10-28 WO disclosed