SCHEMBL3537759

SCHEMBL3537759

CNc1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)nc1C

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.60
LIFR P42702 1/20 0.50

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
SCHEMBL14253861 0.86 NR1H4 (0.72) NR1H4
SCHEMBL2128869 0.85 NR1H4 (0.62) NR1H4LIFR
SCHEMBL2128592 0.83 NR1H4 (0.80) NR1H4LIFR
SCHEMBL2129046 0.82 NR1H4 (0.69) NR1H4LIFR
SCHEMBL4837149 0.82 NR1H4 (0.66) NR1H4LIFR
SCHEMBL2128407 0.81 NR1H4 (0.73) NR1H4LIFR
SCHEMBL2128864 0.80 NR1H4 (0.67) NR1H4LIFR
SCHEMBL2129745 0.80 NR1H4 (0.64) NR1H4LIFR
SCHEMBL2129864 0.78 NR1H4 (0.60) NR1H4LIFR
SCHEMBL19506059 0.77 NR1H4 (0.68) NR1H4LIFR

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
EP-2084147-B1 HETEROCYCLIC FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-04-25 EP disclosed
WO-2008025540-A1 HETEROCYCLIC FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2008-03-06 WO disclosed