SCHEMBL4283055

SCHEMBL4283055

COC(=O)c1ccc(CNc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc2C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.68

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
SCHEMBL4325777 0.91 NR1H4 (0.67) NR1H4
SCHEMBL4275550 0.90 NR1H4 (0.55) NR1H4
SCHEMBL4280055 0.90 NR1H4 (0.61) NR1H4
SCHEMBL2128933 0.88 NR1H4 (0.87) NR1H4
SCHEMBL4327129 0.86 NR1H4 (0.87) NR1H4
SCHEMBL19629742 0.83 NR1H4 (0.64) NR1H4
SCHEMBL29416534 0.82 NR1H4 (0.79) NR1H4
SCHEMBL2130307 0.81 NR1H4 (1.00) NR1H4
SCHEMBL12188526 0.81 NR1H4 (0.62) NR1H4
SCHEMBL4282532 0.81 NR1H4 (0.87) 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