SCHEMBL4283066

SCHEMBL4283066

Cc1nc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.56
FABP1 P07148 2/20 0.53
FABP4 P15090 1/20 0.52

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
SCHEMBL4283030 0.85 NR1H4 (0.66) NR1H4FABP1
SCHEMBL4284357 0.84 NR1H4 (0.55) NR1H4FABP1
SCHEMBL2128869 0.82 NR1H4 (0.62) NR1H4
SCHEMBL19627400 0.81 NR1H4 (0.68) NR1H4
SCHEMBL12168805 0.78 NR1H4 (0.74) NR1H4FABP1
SCHEMBL19628515 0.78 NR1H4 (0.59) NR1H4FABP1FABP4
SCHEMBL19629748 0.78 NR1H4 (0.54) NR1H4
SCHEMBL29467359 0.78 NR1H4 (0.53) NR1H4FABP1
SCHEMBL28728433 0.78 NR1H4 (0.53) NR1H4FABP1
SCHEMBL19629742 0.78 NR1H4 (0.64) 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