SCHEMBL5597884

SCHEMBL5597884

CCNC(=O)c1cccc(-c2ccccc2)c1-c1cc(C(F)(F)F)c(C#N)c(=O)n1Cc1ccc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.57
NR1H2 P55055 3/20 0.57
NR1H3 Q13133 3/20 0.57
GNRHR P30968 3/20 0.38
KCNA5 P22460 2/20 0.36
PDE10A Q9Y233 3/20 0.35
MAPT P10636 1/20 0.35
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
KCNK3 O14649 2/20 0.34
KCNK5 O95279 1/20 0.34
KCNK17 Q96T54 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
PPARG P37231 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
LIPG Q9Y5X9 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
SCHEMBL5793671 0.89 RXRA (0.61) RXRANR1H2NR1H3GNRHRALDH1A1
SCHEMBL5598178 0.88 RXRA (0.58) RXRANR1H2NR1H3GNRHRMAPT
SCHEMBL5793441 0.88 RXRA (0.42) RXRANR1H2NR1H3MAPTPPARG
SCHEMBL5816750 0.85 RXRA (0.61) RXRANR1H2NR1H3GNRHRMAPT
SCHEMBL2389502 0.83 RXRA (0.58) RXRANR1H2NR1H3AGTR1AGTR2
SCHEMBL2262731 0.81 RXRA (0.83) RXRANR1H2NR1H3GNRHRMAPT
SCHEMBL14214340 0.79 RXRA (0.75) RXRANR1H2NR1H3GNRHRMAPT
SCHEMBL14214400 0.79 RXRA (0.84) RXRANR1H2NR1H3GNRHRMAPT
SCHEMBL5610641 0.78 RXRA (0.53) RXRANR1H2NR1H3PDE10AAGTR1
SCHEMBL5816753 0.78 RXRA (0.64) RXRANR1H2NR1H3GNRHRALDH1A1

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
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO claimed