SCHEMBL4665243

SCHEMBL4665243

CN1CC[N+]([O-])(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NCCCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.46
TP53 P04637 1/20 0.45
TACR3 P29371 5/20 0.44
KCNH2 Q12809 2/20 0.44
TACR2 P21452 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
SCHEMBL4665275 0.95 LMNA (0.64) LMNAL3MBTL1TP53TACR3KCNH2
SCHEMBL4668637 0.90 LMNA (0.59) LMNAL3MBTL1TP53TACR3TACR2
SCHEMBL4665270 0.89 LMNA (0.58) LMNAL3MBTL1TP53TACR3TACR2
SCHEMBL4667478 0.88 LMNA (0.56) LMNAL3MBTL1TP53TACR3TACR2
SCHEMBL4665273 0.84 LMNA (0.67) LMNATP53TACR3TACR2
SCHEMBL4668628 0.84 LMNA (0.49) LMNATP53TACR3KCNH2TACR2
SCHEMBL4667069 0.84 TACR3 (0.47) LMNATACR3KCNH2TACR2
SCHEMBL4665278 0.83 LMNA (0.66) LMNATP53TACR3TACR2
SCHEMBL4667525 0.82 LMNA (0.50) LMNAL3MBTL1TP53TACR3
SCHEMBL4667106 0.82 LMNA (0.64) LMNAL3MBTL1TP53TACR3TACR2

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-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