SCHEMBL19910377

SCHEMBL19910377

Cn1nc(C(=O)N(CCOc2ccc(C(=O)O)cc2C(F)(F)F)CC2CC=CC=C2F)c2c1-c1cc(Cl)ccc1OC2

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 15/20 0.52
▸ EIF4EBP1 Q13541 2/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ TTR P02766 1/20 0.32

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
SCHEMBL16702571 0.85 NR1H4 (0.59) NR1H4EIF4EBP1
SCHEMBL21574198 0.84 NR1H4 (0.58) NR1H4
SCHEMBL21574214 0.82 NR1H4 (0.55) NR1H4
SCHEMBL22299620 0.78 NR1H4 (0.56) NR1H4
SCHEMBL16702125 0.78 NR1H4 (0.63) NR1H4EIF4EBP1
SCHEMBL16701999 0.78 NR1H4 (0.73) NR1H4
SCHEMBL16703486 0.77 NR1H4 (0.64) NR1H4TTR
SCHEMBL16709795 0.77 NR1H4 (0.61) NR1H4
SCHEMBL16702377 0.76 NR1H4 (0.69) NR1H4EIF4EBP1
SCHEMBL16702714 0.74 NR1H4 (0.67) 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-3065738-B1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2018-02-28 — — EP disclosed
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