SCHEMBL4334682

SCHEMBL4334682

COC(=O)c1ccc(CN(C)c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc2C)cc1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.70

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
SCHEMBL4327092 0.93 NR1H4 (0.81) NR1H4
SCHEMBL4327129 0.90 NR1H4 (0.87) NR1H4
SCHEMBL19879497 0.89 NR1H4 (0.76) NR1H4
SCHEMBL19627400 0.88 NR1H4 (0.68) NR1H4
SCHEMBL4275550 0.85 NR1H4 (0.55) NR1H4
SCHEMBL4282532 0.83 NR1H4 (0.87) NR1H4
SCHEMBL4278596 0.83 NR1H4 (0.88) NR1H4
SCHEMBL4324343 0.83 NR1H4 (1.00) NR1H4
SCHEMBL19629816 0.81 NR1H4 (0.57) NR1H4
SCHEMBL4286136 0.81 NR1H4 (0.79) 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
EP-2128158-A1 Heterocyclic cyclopropyl-substituted FXR binding compounds Phenex Pharmaceuticals AG (DE) 2009-12-02 EP disclosed