SCHEMBL19910404

SCHEMBL19910404

Cc1cccc(CN(CCNC2=CC(C(=O)O)=CCC2F)C(=O)c2nn(C)c3c2COc2cc(F)c(F)cc2-3)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 18/20 0.57
▸ MAPT P10636 1/20 0.34

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
SCHEMBL16701912 0.85 NR1H4 (0.79) NR1H4MAPT
SCHEMBL16702770 0.78 NR1H4 (0.89) NR1H4MAPT
SCHEMBL16702108 0.78 NR1H4 (0.91) NR1H4
SCHEMBL16702204 0.78 NR1H4 (0.79) NR1H4MAPT
SCHEMBL16702581 0.78 NR1H4 (0.80) NR1H4MAPT
SCHEMBL19910347 0.77 NR1H4 (0.64) NR1H4MAPT
SCHEMBL16702292 0.74 NR1H4 (0.69) NR1H4MAPT
SCHEMBL16701906 0.73 NR1H4 (0.72) NR1H4MAPT
SCHEMBL16701893 0.73 NR1H4 (1.00) NR1H4MAPT
SCHEMBL16702554 0.72 NR1H4 (0.66) 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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