SCHEMBL19910485

SCHEMBL19910485

CC1=NC(C(=O)O)=CCC1CN(Cc1cccc(F)c1)C(=O)c1nn(C)c2c1COc1ccc(Cl)cc1-2

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 18/20 0.59
▸ TP53 P04637 1/20 0.33

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
SCHEMBL18191592 0.84 NR1H4 (0.79) NR1H4
SCHEMBL18198056 0.83 NR1H4 (0.69) NR1H4
SCHEMBL16702569 0.82 NR1H4 (0.86) NR1H4TP53
SCHEMBL16702798 0.82 NR1H4 (0.72) NR1H4
SCHEMBL18191633 0.81 NR1H4 (0.73) NR1H4
SCHEMBL16702707 0.80 NR1H4 (0.69) NR1H4
SCHEMBL16702312 0.80 NR1H4 (0.65) NR1H4TP53
SCHEMBL16702297 0.80 NR1H4 (0.73) NR1H4TP53
SCHEMBL18191572 0.79 NR1H4 (0.67) NR1H4
SCHEMBL19910500 0.79 NR1H4 (0.65) 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
Send feedback