SCHEMBL27978664

SCHEMBL27978664

CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc3c(c2)C(C)(C)c2cc(-c4cnc(C5CCCN5C(=O)O)[nH]4)ccc2-3)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.49
HPGDS O60760 3/20 0.46
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
NR1I2 O75469 2/20 0.45
ABCB11 O95342 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 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
SCHEMBL2709556 0.96 PRCP (0.49) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL204800 0.96 PRCP (0.49) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL28124521 0.92 PRCP (0.50) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL19318875 0.92 PRCP (0.46) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL27978605 0.90 PRCP (0.50) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL16891281 0.89 PRCP (0.51) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL27978462 0.88 PRCP (0.50) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL28656576 0.87 CYP3A4 (0.45) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL28656574 0.87 CYP3A4 (0.45) PRCPHPGDSCYP3A4CYP2C9NR1I2
SCHEMBL10215822 0.86 PRCP (0.53) PRCPHPGDSCYP3A4CYP2C9NR1I2

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
CN-104016971-B Antiviral compound PHARMASSET INC. (US) 2016-05-25 CN disclosed
CN-103977406-A Antiviral compounds GILEAD SCIENCES INC 2014-08-13 CN disclosed