SCHEMBL20049126

SCHEMBL20049126

O=C(O)c1ccc2nc(N3C4CC(NCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)CC3C4)sc2c1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.65

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
SCHEMBL20043335 0.97 NR1H4 (0.65) NR1H4
SCHEMBL20049079 0.92 NR1H4 (0.57) NR1H4
SCHEMBL20048943 0.91 NR1H4 (0.65) NR1H4
SCHEMBL20048923 0.90 NR1H4 (0.55) NR1H4
SCHEMBL20049096 0.89 NR1H4 (0.53) NR1H4
SCHEMBL20049137 0.89 NR1H4 (0.57) NR1H4
SCHEMBL20043333 0.89 NR1H4 (0.59) NR1H4
SCHEMBL20049130 0.89 NR1H4 (0.55) NR1H4
SCHEMBL20048957 0.88 NR1H4 (0.68) NR1H4
SCHEMBL20043506 0.88 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
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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