SCHEMBL9959887

SCHEMBL9959887

CCOC(=O)c1ccc2nc(N3C4CCC3CC(OCc3c(-c5c(F)cccc5F)noc3C3CC3)C4)sc2c1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.65

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
SCHEMBL17145478 1.00 NR1H4 (0.65) NR1H4
SCHEMBL17128609 1.00 NR1H4 (0.65) NR1H4
SCHEMBL17128608 1.00 NR1H4 (0.65) NR1H4
SCHEMBL17358931 1.00 NR1H4 (0.65) NR1H4
SCHEMBL19188702 0.93 NR1H4 (0.61) NR1H4
SCHEMBL17145476 0.91 NR1H4 (0.78) NR1H4
SCHEMBL9960206 0.91 NR1H4 (0.78) NR1H4
SCHEMBL17128478 0.91 NR1H4 (0.78) NR1H4
SCHEMBL17128480 0.91 NR1H4 (0.78) NR1H4
SCHEMBL17358932 0.91 NR1H4 (0.78) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655370-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-10-30 — — EP claimed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 — — WO claimed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 — — US disclosed
EP-2655370-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-10-30 — — EP disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 — — WO disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 — — WO disclosed
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