SCHEMBL20049494

SCHEMBL20049494

O=C(O)c1ccc2nc(N3CCC(NCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)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
SCHEMBL20047725 0.95 NR1H4 (0.78) NR1H4
SCHEMBL20049487 0.90 NR1H4 (0.65) NR1H4
SCHEMBL20049126 0.87 NR1H4 (0.65) NR1H4
SCHEMBL20043335 0.87 NR1H4 (0.65) NR1H4
SCHEMBL20047724 0.85 NR1H4 (0.66) NR1H4
SCHEMBL10084823 0.85 NR1H4 (1.00) NR1H4
SCHEMBL20043352 0.85 NR1H4 (0.78) NR1H4
SCHEMBL20043396 0.84 NR1H4 (0.62) NR1H4
SCHEMBL22789910 0.83 NR1H4 (0.76) NR1H4
SCHEMBL20047736 0.83 NR1H4 (0.61) 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-2018067704-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-04-12 — — WO disclosed
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