SCHEMBL17128562

SCHEMBL17128562

O=C(O)c1ccc2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5ccccc5C(F)(F)F)noc3C3CC3)C4)sc2c1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.82

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
SCHEMBL9959364 1.00 NR1H4 (0.82) NR1H4
SCHEMBL17128561 1.00 NR1H4 (0.82) NR1H4
SCHEMBL19189636 1.00 NR1H4 (0.82) NR1H4
SCHEMBL19189922 0.91 NR1H4 (0.69) NR1H4
SCHEMBL17128588 0.91 NR1H4 (0.69) NR1H4
SCHEMBL17128590 0.91 NR1H4 (0.69) NR1H4
SCHEMBL9960085 0.91 NR1H4 (0.69) NR1H4
SCHEMBL19739533 0.90 NR1H4 (1.00) NR1H4
SCHEMBL17128505 0.90 NR1H4 (1.00) NR1H4
SCHEMBL17128508 0.90 NR1H4 (1.00) 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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