SCHEMBL19123199

SCHEMBL19123199

COC(=O)c1ccc2nc(N3CCc4cc(Oc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)ccc4C3)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.53

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
SCHEMBL20624110 0.93 NR1H4 (0.62) NR1H4
SCHEMBL19123044 0.87 NR1H4 (0.61) NR1H4
SCHEMBL19122013 0.83 NR1H4 (0.59) NR1H4
SCHEMBL19122604 0.82 NR1H4 (0.71) NR1H4
SCHEMBL19122446 0.80 NR1H4 (0.71) NR1H4
SCHEMBL28912135 0.78 NR1H4 (0.75) NR1H4
SCHEMBL20553955 0.78 NR1H4 (0.60) NR1H4
SCHEMBL19122445 0.76 NR1H4 (0.72) NR1H4
SCHEMBL19202442 0.76 NR1H4 (0.62) NR1H4
SCHEMBL19230961 0.75 NR1H4 (0.58) 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
WO-2017118294-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF 广州市恒诺康医药科技有限公司 2017-07-13 — — WO disclosed
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