SCHEMBL691508

SCHEMBL691508

CC(C)(C)c1c(-c2ccc(-c3cnc([C@@H]4CCCN4C(=O)O)[nH]3)cc2)ccc(-c2cnc([C@@H]3CCCN3C(=O)O)[nH]2)c1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.55
CYP3A4 P08684 4/20 0.50
CYP2C9 P11712 3/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
OPRK1 P41145 1/20 0.50
KCNH2 Q12809 1/20 0.50
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL3343952 0.85 PRCP (0.61) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL1745430 0.84 KCNH2 (0.52) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15848314 0.83 PRCP (0.68) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15848315 0.83 PRCP (0.68) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15848588 0.82 PRCP (0.56) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15848586 0.82 PRCP (0.56) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL1745298 0.82 PRCP (0.57) PRCPCYP3A4CYP2C9KCNH2HCRTR1
SCHEMBL15848419 0.81 PRCP (0.68) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15848417 0.81 PRCP (0.68) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15848395 0.81 PRCP (0.57) PRCPCYP3A4CYP2C9NR1I2ABCB11

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-2049522-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-05-14 EP claimed
EP-2049116-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP disclosed
EP-2385048-A1 Hepatitis C virus inhibitors Bristol-Myers Squibb Company (US) 2011-11-09 EP disclosed
US-20110252687-A1 Canting Vertical Fore Grip with Bipod GRIP POD SYSTEMS, LLC 2011-10-20 US disclosed