SCHEMBL5821097

SCHEMBL5821097

CN(C)OC(=O)c1ccc(-c2cccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.60
NR1H2 P55055 3/20 0.60
NR1H3 Q13133 3/20 0.60
MCHR1 Q99705 11/20 0.40
KCNK3 O14649 4/20 0.37
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPK14 Q16539 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
SCHEMBL2389383 0.90 RXRA (0.61) RXRANR1H2NR1H3MCHR1KCNK3
SCHEMBL2392062 0.89 RXRA (0.63) RXRANR1H2NR1H3MCHR1KCNK3
SCHEMBL2389509 0.87 RXRA (0.63) RXRANR1H2NR1H3MCHR1KCNK3
Dimethylamine SCHEMBL5821096 0.86 RXRA (0.63) RXRANR1H2NR1H3MCHR1KCNK3
SCHEMBL2391037 0.86 RXRA (0.61) RXRANR1H2NR1H3MCHR1KCNK3
SCHEMBL2391077 0.85 RXRA (0.59) RXRANR1H2NR1H3MCHR1KCNK3
SCHEMBL14214340 0.85 RXRA (0.75) RXRANR1H2NR1H3KCNK3MAPT
SCHEMBL2387401 0.84 RXRA (0.62) RXRANR1H2NR1H3KCNK3MAPK14
SCHEMBL2389385 0.83 RXRA (0.65) RXRANR1H2NR1H3MCHR1KCNK3
SCHEMBL5793484 0.83 RXRA (0.70) RXRANR1H2NR1H3KCNK3TP53

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
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO claimed