SCHEMBL3839730

SCHEMBL3839730

Cc1ccccc1OCc1c[nH]cn1.Clc1cccc(OCc2c[nH]cn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 0.38
HTR6 P50406 1/20 0.38
MAOB P27338 1/20 0.37
LMNA P02545 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
ROCK2 O75116 1/20 0.37
GRK2 P25098 1/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXRA P19793 1/20 0.36

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
SCHEMBL3834958 0.96 FFAR1 (0.42) FFAR1MRGPRX4PPARGPPARDMAPT
SCHEMBL221820 0.87 LMNA (0.45) FFAR1MAPTKMT2ATDP1POLB
SCHEMBL226843 0.84 NISCH (0.48) MAPTKMT2ATDP1LMNANISCH
SCHEMBL3839731 0.82 FFAR1 (0.47) FFAR1MRGPRX4PPARGPPARDMAPT
SCHEMBL6358732 0.74 ALDH1A1 (0.38) KMT2ALMNAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL224611 0.73 TP53 (0.45) FFAR1MAPTTP53KMT2ATDP1
SCHEMBL4427549 0.73 KCNH2 (0.55) MAPTTP53MAOBNISCHSMN1; SMN2
SCHEMBL224838 0.72 ALDH1A1 (0.48) MAPTTP53KMT2APOLBLMNA
SCHEMBL222798 0.71 MRGPRX4 (0.46) MRGPRX4TP53KMT2ATDP1HTT
SCHEMBL223566 0.70 ALDH1A1 (0.50) FFAR1MRGPRX4MAPTKMT2ATDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094668-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. Hoffmann-Roche AG (CH) 2009-09-02 EP claimed
WO-2008074679-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO claimed
EP-2094668-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
WO-2008074679-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed