SCHEMBL5045993

SCHEMBL5045993

C[S+]([O-])CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
L3MBTL1 Q9Y468 3/20 0.53
TP53 P04637 1/20 0.51
TACR3 P29371 7/20 0.48
CNR1 P21554 1/20 0.46
TSHR P16473 1/20 0.45
TACR2 P21452 1/20 0.44
PTGFR P43088 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5045806 0.92 LMNA (0.66) LMNAL3MBTL1TP53TACR3CNR1
SCHEMBL5046700 0.87 LMNA (0.61) LMNAL3MBTL1TP53TACR3CNR1
SCHEMBL4667123 0.84 LMNA (0.66) LMNAL3MBTL1TP53TACR3CNR1
SCHEMBL5049044 0.83 LMNA (0.55) LMNAL3MBTL1TP53TACR3
SCHEMBL5139952 0.83 LMNA (0.61) LMNAL3MBTL1TP53TACR3CNR1
SCHEMBL16553849 0.83 LMNA (0.67) LMNAL3MBTL1TP53TACR3CNR1
SCHEMBL5047970 0.82 LMNA (0.67) LMNAL3MBTL1TP53TACR3CNR1
SCHEMBL5049830 0.82 LMNA (0.67) LMNAL3MBTL1TP53TACR3CNR1
SCHEMBL5042219 0.82 LMNA (0.55) LMNATP53TACR3TACR2PTGFR
SCHEMBL3870523 0.82 LMNA (0.65) LMNAL3MBTL1TP53TACR3CNR1

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-1928835-A1 ALKYL SULFOXIDE QUINOLINES AS NK-3 RECEPTOR LIGANDS Astra Zeneca AB (SE) 2008-06-11 EP claimed
WO-2007035158-A1 ALKYL SULFOXIDE QUINOLINES AS NK-3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-03-29 WO claimed