SCHEMBL762064

SCHEMBL762064

CC(C)(C)OC(=O)N1CCCC1c1nc2ccc(-c3ccc4c(c3)OCc3cc(-c5cnc(C6CCCN6C(=O)O)[nH]5)ccc3-4)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.41
HCRTR1 O43613 7/20 0.40
HCRTR2 O43614 7/20 0.40
HPGDS O60760 2/20 0.39
CHEK2 O96017 1/20 0.38
NR1I2 O75469 2/20 0.38
ABCB11 O95342 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL18462787 0.97 HCRTR1 (0.41) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL2710085 0.97 HCRTR1 (0.41) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL206336 0.97 HCRTR1 (0.41) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL17644214 0.92 PRCP (0.46) PRCPHCRTR1HCRTR2HPGDSNR1I2
SCHEMBL749228 0.92 PRCP (0.44) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL206403 0.89 PRCP (0.47) PRCPHPGDSNR1I2ABCB11CYP3A4
SCHEMBL2707855 0.89 PRCP (0.47) PRCPHPGDSNR1I2ABCB11CYP3A4
SCHEMBL2709432 0.89 HCRTR1 (0.44) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL205792 0.89 HCRTR1 (0.44) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL1294164 0.88 PRCP (0.46) PRCPHCRTR1HCRTR2HPGDSCHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
CN-104016971-B Antiviral compound PHARMASSET INC. (US) 2016-05-25 CN disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
CN-103977406-A Antiviral compounds GILEAD SCIENCES INC 2014-08-13 CN disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed