SCHEMBL4278596

SCHEMBL4278596

COC(=O)c1ccc(CN(C)c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc2C(F)(F)F)cc1C

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.88

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
SCHEMBL4319707 0.93 NR1H4 (1.00) NR1H4
SCHEMBL4286136 0.92 NR1H4 (0.79) NR1H4
SCHEMBL4327129 0.91 NR1H4 (0.87) NR1H4
SCHEMBL13578686 0.91 NR1H4 (0.95) NR1H4
SCHEMBL4282532 0.90 NR1H4 (0.87) NR1H4
SCHEMBL4327126 0.88 NR1H4 (0.85) NR1H4
SCHEMBL4324343 0.87 NR1H4 (1.00) NR1H4
SCHEMBL4325777 0.87 NR1H4 (0.67) NR1H4
SCHEMBL13578668 0.86 NR1H4 (0.92) NR1H4
SCHEMBL4283477 0.86 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009149795-A2 HETEROCYCLIC CYCLOPROPYL-SUBSTITUTED FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2009-12-17 WO disclosed
EP-2128158-A1 Heterocyclic cyclopropyl-substituted FXR binding compounds Phenex Pharmaceuticals AG (DE) 2009-12-02 EP disclosed