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SCHEMBL751045

SCHEMBL751045

COC(=O)NCC(C)CC(=O)N1C2CCC(C2)C1c1nc2ccc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc(C6CC7(CC7)CN6C(=O)C(NC(=O)OC)C(C)C)[nH]5)ccc3-4)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ NR1I2 O75469 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 1/20 0.38

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
Ledipasvir SCHEMBL2708471 0.92 CYP2C9 (0.44) CYP2C9CYP3A4NR1I2KCNH2ABCB11
Ledipasvir SCHEMBL15443804 0.92 CYP2C9 (0.44) CYP2C9CYP3A4NR1I2KCNH2ABCB11
Ledipasvir SCHEMBL19087952 0.92 CYP2C9 (0.44) CYP2C9CYP3A4NR1I2KCNH2ABCB11
Ledipasvir SCHEMBL205601 0.92 CYP2C9 (0.44) CYP2C9CYP3A4NR1I2KCNH2ABCB11
Ledipasvir SCHEMBL19981367 0.92 CYP2C9 (0.44) CYP2C9CYP3A4NR1I2KCNH2ABCB11
Ledipasvir SCHEMBL18463016 0.92 CYP2C9 (0.44) CYP2C9CYP3A4NR1I2KCNH2ABCB11
Ledipasvir SCHEMBL18462752 0.92 CYP2C9 (0.44) CYP2C9CYP3A4NR1I2KCNH2ABCB11
Ledipasvir SCHEMBL18462701 0.92 CYP2C9 (0.44) CYP2C9CYP3A4NR1I2KCNH2ABCB11
Ledipasvir SCHEMBL13071154 0.92 CYP2C9 (0.44) CYP2C9CYP3A4NR1I2KCNH2ABCB11
Ledipasvir SCHEMBL2706494 0.92 CYP2C9 (0.44) CYP2C9CYP3A4NR1I2KCNH2ABCB11

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
WO-2014120982-A1 SOLID DISPERSION FORMULATION OF AN ANTIVIRAL COMPOUND GILEAD PHARMASSET LLC (US) 2014-08-07 — — WO disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 — — EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 — — WO disclosed