SCHEMBL22789910

SCHEMBL22789910

O=C(O)c1ccc2nc(N3CCN(CCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)sc2c1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.76

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
SCHEMBL20043352 0.92 NR1H4 (0.78) NR1H4
SCHEMBL22789987 0.88 NR1H4 (0.68) NR1H4
SCHEMBL22790405 0.86 NR1H4 (0.61) NR1H4
SCHEMBL20047725 0.86 NR1H4 (0.78) NR1H4
SCHEMBL10084823 0.86 NR1H4 (1.00) NR1H4
SCHEMBL20043353 0.85 NR1H4 (0.69) NR1H4
SCHEMBL19122005 0.84 NR1H4 (0.82) NR1H4
SCHEMBL20043359 0.84 NR1H4 (0.75) NR1H4
SCHEMBL22789958 0.84 NR1H4 (0.65) NR1H4
SCHEMBL20049494 0.83 NR1H4 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008040-A Compounds for modulating FXR 南京瑞捷医药科技有限公司 2022-02-01 — — CN disclosed
WO-2020249064-A1 COMPOUNDS FOR MODULATING FXR NANJING RUIJIE PHARMA CO., LTD. (CN) 2020-12-17 — — WO disclosed
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