Sugi Predict

Sugi Predict / Compounds / SCHEMBL17066321

SCHEMBL17066321

SCHEMBL17066321

COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5C6CCC(CC6)N5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)cc3)cc2)c[nH]1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.59
▸ CYP2C9 P11712 5/20 0.57
▸ NR1I2 O75469 2/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ CYP1A2 P05177 3/20 0.52
▸ CYP2D6 P10635 2/20 0.51

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
SCHEMBL17066296 0.96 CYP3A4 (0.55) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL17066319 0.93 CYP3A4 (0.55) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL17066328 0.93 CYP3A4 (0.54) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL17066734 0.91 CYP3A4 (0.54) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL17066331 0.91 CYP3A4 (0.54) CYP3A4CYP2C9NR1I2ABCB11OPRK1
Daclatasvir SCHEMBL17897804 0.90 CYP3A4 (0.71) CYP3A4CYP2C9NR1I2ABCB11OPRK1
Daclatasvir SCHEMBL12188233 0.90 CYP3A4 (0.71) CYP3A4CYP2C9NR1I2ABCB11OPRK1
Daclatasvir SCHEMBL27133901 0.90 CYP3A4 (0.71) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL17066330 0.90 CYP3A4 (0.52) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL17066318 0.89 CYP3A4 (0.69) CYP3A4CYP2C9NR1I2ABCB11OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9125904-B1 Biphenyl imidazoles and related compounds useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-08 — — US disclosed
US-9125904-B1 Biphenyl imidazoles and related compounds useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-08 — — US disclosed