SCHEMBL4283030

SCHEMBL4283030

Nc1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.66
FABP1 P07148 1/20 0.51

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
SCHEMBL12168809 0.87 NR1H4 (0.74) NR1H4FABP1
SCHEMBL29904895 0.87 NR1H4 (0.74) NR1H4FABP1
SCHEMBL1164481 0.87 NR1H4 (0.64) NR1H4
SCHEMBL12168805 0.87 NR1H4 (0.74) NR1H4FABP1
SCHEMBL12168807 0.86 NR1H4 (0.66) NR1H4FABP1
SCHEMBL20419411 0.86 NR1H4 (0.64) NR1H4
SCHEMBL19629742 0.86 NR1H4 (0.64) NR1H4
SCHEMBL29904900 0.86 NR1H4 (0.64) NR1H4
SCHEMBL4283066 0.85 NR1H4 (0.56) NR1H4FABP1
SCHEMBL4278604 0.85 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