SCHEMBL12949359

SCHEMBL12949359

CN(C)Cc1ccnc(O[C@H]2CC[C@H](N(c3cc(C#CC4(C(F)(F)F)CC4)sc3C(=O)O)C(=O)[C@H]3CC[C@H](I)CC3)CC2)c1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.33

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
SCHEMBL939460 0.94 NR1I2 (0.39) NR1I2
SCHEMBL12949309 0.94 NR1I2 (0.39) NR1I2
SCHEMBL939459 0.94 NR1I2 (0.39) NR1I2
SCHEMBL12949479 0.94 NR1I2 (0.34) NR1I2
SCHEMBL939434 0.92 NR1I2 (0.40) NR1I2
SCHEMBL939433 0.92 NR1I2 (0.40) NR1I2
SCHEMBL15015416 0.83 NR1I2 (0.33) NR1I2
SCHEMBL938033 0.82 NR1I2 (0.45) NR1I2
SCHEMBL938035 0.82 NR1I2 (0.45) NR1I2
SCHEMBL12909605 0.82 NR1I2 (0.52) NR1I2

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
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 — — EP disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 — — WO disclosed
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