SCHEMBL1759015

SCHEMBL1759015

CCCCOC(=O)N1CCCC1c1ncc(I)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 2/20 0.38
KCNH2 Q12809 2/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
OPRK1 P41145 1/20 0.38
CYP1A2 P05177 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
GCK P35557 1/20 0.35
ECE1 P42892 1/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35

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
SCHEMBL752042 0.87 CYP3A4 (0.40) PRCPL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL3389376 0.82 PRCP (0.45) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL1816483 0.81 L3MBTL1 (0.39) L3MBTL1MEN1ALDH1A1KMT2AHCRTR1
SCHEMBL571726 0.81 CYP3A4 (0.50) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL483056 0.81 ALDH1A1 (0.47) PRCPL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL483330 0.81 ALDH1A1 (0.47) PRCPL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL1758861 0.78 L3MBTL1 (0.35) PRCPL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL15773400 0.77 ALDH1A1 (0.43) L3MBTL1MEN1ALDH1A1KMT2ACYP3A4
SCHEMBL13505338 0.77 PRCP (0.41) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL1293552 0.77 PRCP (0.41) PRCPCYP3A4CYP2C9KCNH2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499115-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-09-19 EP disclosed
EP-2499127-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-09-19 EP disclosed
WO-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed