SCHEMBL3389376

SCHEMBL3389376

CCCCOC(=O)N1CCCC1c1ncc(-c2cnc(Cl)nc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 9/20 0.45
CYP3A4 P08684 4/20 0.44
CYP2C9 P11712 3/20 0.44
KCNH2 Q12809 2/20 0.44
NR1I2 O75469 1/20 0.44
ABCB11 O95342 1/20 0.44
OPRK1 P41145 1/20 0.44
CYP1A2 P05177 2/20 0.42
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
CYP2D6 P10635 1/20 0.40
HPGDS O60760 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
SCHEMBL571726 0.86 CYP3A4 (0.50) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL690267 0.83 HPGDS (0.54) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL690268 0.83 HPGDS (0.54) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL1759015 0.82 PRCP (0.40) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL752042 0.82 CYP3A4 (0.40) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL932730 0.80 PRCP (0.53) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL2582765 0.80 PRCP (0.53) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL2504785 0.80 CYP3A4 (0.45) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL12175050 0.75 KCNH2 (0.65) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL17571188 0.75 KCNH2 (0.65) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250163-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-11-17 EP disclosed
EP-2242752-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-10-27 EP disclosed
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2009102318-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
EP-2049114-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-22 EP disclosed
EP-2049116-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-22 EP disclosed
EP-2049522-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-22 EP disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed