SCHEMBL4963863

SCHEMBL4963863

O=C(NCCCc1ccccc1)c1c(OS(=O)(=O)C(F)(F)F)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.48
TACR3 P29371 11/20 0.43
MLYCD O95822 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
TACR2 P21452 3/20 0.42
TP53 P04637 1/20 0.42
CNR1 P21554 1/20 0.42
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41

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
SCHEMBL4963768 0.90 LMNA (0.52) LMNAL3MBTL1TACR3MLYCDTAAR1
SCHEMBL4963091 0.89 LMNA (0.60) LMNAL3MBTL1TACR3TACR2TP53
SCHEMBL4961927 0.85 LMNA (0.52) LMNAL3MBTL1TACR3TACR2TP53
SCHEMBL4962076 0.85 LMNA (0.57) LMNAL3MBTL1TACR3TACR2TP53
SCHEMBL4964876 0.83 TACR3 (0.51) LMNAL3MBTL1TACR3
SCHEMBL4961957 0.83 TACR3 (0.51) LMNAL3MBTL1TACR3TACR2
SCHEMBL4962172 0.80 TACR3 (0.50) LMNAL3MBTL1TACR3
SCHEMBL7616805 0.80 LMNA (0.55) LMNAL3MBTL1TACR3TACR2TP53
SCHEMBL3870523 0.79 LMNA (0.65) LMNAL3MBTL1TACR3TACR2TP53
SCHEMBL16553849 0.78 LMNA (0.67) LMNAL3MBTL1TACR3TACR2TP53

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-1896418-A1 QUINOLINE 3 -SULFONATE ESTERS AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-03-12 EP claimed
WO-2006137789-A1 Quinoline 3 -sulfonate esters as NK3 receptor modulators ASTRAZENECA AB (SE) 2006-12-28 WO claimed
EP-1896418-A1 QUINOLINE 3 -SULFONATE ESTERS AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-03-12 EP disclosed
WO-2006137789-A1 Quinoline 3 -sulfonate esters as NK3 receptor modulators ASTRAZENECA AB (SE) 2006-12-28 WO disclosed