SCHEMBL4667478

SCHEMBL4667478

O=C(NCCCc1ccccc1)c1c(C[N+]2([O-])CCOCC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.48
TP53 P04637 2/20 0.44
TACR3 P29371 5/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4667106 0.94 LMNA (0.64) LMNAL3MBTL1TP53TACR3ALDH1A1
SCHEMBL4668637 0.92 LMNA (0.59) LMNAL3MBTL1TP53TACR3CACNA1B
SCHEMBL4665270 0.91 LMNA (0.58) LMNAL3MBTL1TP53TACR3CACNA1B
SCHEMBL4665243 0.88 LMNA (0.57) LMNAL3MBTL1TP53TACR3TACR2
SCHEMBL4665273 0.86 LMNA (0.67) LMNATP53TACR3ALDH1A1HPGD
SCHEMBL4665278 0.85 LMNA (0.66) LMNATP53TACR3ALDH1A1HPGD
SCHEMBL4668578 0.84 LMNA (0.48) LMNATP53TACR3TSHRALDH1A1
SCHEMBL4667525 0.84 LMNA (0.50) LMNAL3MBTL1TP53TACR3
SCHEMBL4665219 0.83 TACR3 (0.47) LMNATP53TACR3ALDH1A1HPGD
SCHEMBL4667111 0.83 LMNA (0.49) LMNAL3MBTL1TP53TACR3

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-1940795-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS AstraZeneca AB (SE) 2008-07-09 EP claimed
WO-2007035156-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-03-29 WO claimed
EP-1940795-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS AstraZeneca AB (SE) 2008-07-09 EP disclosed
WO-2007035156-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-03-29 WO disclosed