SCHEMBL1746942

SCHEMBL1746942

Cc1ccc(CC(=O)N2CCC[C@H]2c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](c6ccccc6)N(C)C(=O)O)[nH]5)cc4)cc3)[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.64
KCNH2 Q12809 2/20 0.59
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.49
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46

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
SCHEMBL690843 0.95 KCNH2 (0.62) PRCPKCNH2CYP3A4CYP2C9CYP1A2
SCHEMBL1746974 0.93 PRCP (0.64) PRCPKCNH2CYP3A4CYP2C9CYP1A2
SCHEMBL1745497 0.92 KCNH2 (0.59) PRCPKCNH2CYP3A4CYP2C9CYP1A2
SCHEMBL1746950 0.92 KCNH2 (0.57) PRCPKCNH2CYP3A4CYP2C9CYP1A2
SCHEMBL1745710 0.92 KCNH2 (0.61) PRCPKCNH2CYP3A4CYP2C9CYP1A2
SCHEMBL15673811 0.90 KCNH2 (0.65) PRCPKCNH2CYP3A4CYP2C9CYP1A2
SCHEMBL2582507 0.90 KCNH2 (0.65) PRCPKCNH2CYP3A4CYP2C9CYP1A2
SCHEMBL1747036 0.90 KCNH2 (0.58) PRCPKCNH2CYP3A4CYP2C9CYP1A2
SCHEMBL1745210 0.89 KCNH2 (0.59) PRCPKCNH2CYP3A4CYP2C9CYP1A2
SCHEMBL1746956 0.89 KCNH2 (0.66) PRCPKCNH2CYP3A4CYP2C9CYP1A2

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 3 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-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