SCHEMBL749228

SCHEMBL749228

CC(C)(C)OC(=O)N1CCCC1c1nc2ccc(-c3ccc4c(c3)CCc3cc(-c5cnc(C6CCCN6C(=O)O)[nH]5)ccc3-4)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.44
HCRTR1 O43613 12/20 0.43
HCRTR2 O43614 12/20 0.43
HPGDS O60760 2/20 0.41
CHEK2 O96017 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL2709432 0.97 HCRTR1 (0.44) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL205792 0.97 HCRTR1 (0.44) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL1294165 0.92 PRCP (0.46) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL1294164 0.92 PRCP (0.46) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL762064 0.92 PRCP (0.41) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL6127047 0.92 PRCP (0.48) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL6127051 0.92 PRCP (0.48) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL1294172 0.91 PRCP (0.46) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL1294168 0.91 PRCP (0.46) PRCPHCRTR1HCRTR2HPGDSCHEK2
SCHEMBL1293451 0.89 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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