SCHEMBL17128478

SCHEMBL17128478

O=C(O)c1ccc2nc(N3[C@@H]4CC[C@H]3C[C@H](OCc3c(-c5c(F)cccc5F)noc3C3CC3)C4)sc2c1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.78

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
SCHEMBL17128480 1.00 NR1H4 (0.78) NR1H4
SCHEMBL9960206 1.00 NR1H4 (0.78) NR1H4
SCHEMBL17358932 1.00 NR1H4 (0.78) NR1H4
SCHEMBL17145476 1.00 NR1H4 (0.78) NR1H4
SCHEMBL19188688 0.92 NR1H4 (0.72) NR1H4
SCHEMBL9960281 0.91 NR1H4 (0.78) NR1H4
SCHEMBL22922693 0.91 NR1H4 (0.78) NR1H4
SCHEMBL19627422 0.91 NR1H4 (0.78) NR1H4
SCHEMBL17145696 0.91 NR1H4 (0.78) NR1H4
SCHEMBL17145478 0.91 NR1H4 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 — — US disclosed
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