SCHEMBL4667482

SCHEMBL4667482

CCCN(C(=O)c1c(C[N+](C)(C)[O-])c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 11/20 0.47
DHODH Q02127 3/20 0.41
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PDE10A Q9Y233 2/20 0.40
CYP2C9 P11712 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4667524 0.83 TACR3 (0.47) TACR3DHODHMAPTTHRBCYP2C9
SCHEMBL4667109 0.82 TACR3 (0.46) TACR3DHODHMAPTTHRBCYP2C9
SCHEMBL4667051 0.81 TACR3 (0.55) TACR3
SCHEMBL4961950 0.80 TACR3 (0.54) TACR3
SCHEMBL4962167 0.78 TACR3 (0.53) TACR3MAPTTHRB
SCHEMBL4668565 0.77 CYP2C9 (0.44) TACR3CYP2C9
SCHEMBL4964873 0.75 TACR3 (0.51) TACR3
SCHEMBL4997290 0.74 TACR3 (0.70) TACR3CYP2C9TSHR
SCHEMBL4667483 0.73 LMNA (0.55) TACR3CYP2C9
SCHEMBL4668635 0.72 TACR3 (0.43) TACR3PDE10ATSHR

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