SCHEMBL9958500

SCHEMBL9958500

O=CN(CC(=O)O)c1ccc2nc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)sc2c1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.77

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
SCHEMBL9959169 0.93 NR1H4 (0.72) NR1H4
SCHEMBL9958451 0.91 NR1H4 (0.71) NR1H4
SCHEMBL17128457 0.90 NR1H4 (0.77) NR1H4
SCHEMBL17128455 0.90 NR1H4 (0.77) NR1H4
SCHEMBL9952827 0.87 NR1H4 (1.00) NR1H4
SCHEMBL9958485 0.85 NR1H4 (0.88) NR1H4
SCHEMBL9959275 0.84 NR1H4 (1.00) NR1H4
SCHEMBL9952852 0.84 NR1H4 (0.84) NR1H4
SCHEMBL9951993 0.84 NR1H4 (0.84) NR1H4
SCHEMBL10086135 0.84 NR1H4 (0.79) NR1H4

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-2655368-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2013-10-30 — — EP claimed
WO-2012087520-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2012-06-28 — — WO claimed
EP-2655368-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2013-10-30 — — EP disclosed
WO-2012087520-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2012-06-28 — — WO disclosed
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