SCHEMBL4667476

SCHEMBL4667476

CCCN(C(=O)c1c(C[N+]2([O-])CCOCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 10/20 0.41
KCNH2 Q12809 3/20 0.40
TSHR P16473 2/20 0.39
PDE10A Q9Y233 2/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL4667103 0.93 TSHR (0.47) TACR3KCNH2TSHRPDE10ACYP3A4
SCHEMBL4668635 0.92 TACR3 (0.43) TACR3KCNH2TSHRPDE10ACYP3A4
SCHEMBL4665269 0.91 TACR3 (0.42) TACR3KCNH2TSHRPDE10ACYP3A4
SCHEMBL4665272 0.84 TSHR (0.47) TACR3KCNH2TSHRPDE10ACYP3A4
SCHEMBL4667524 0.84 TACR3 (0.47) TACR3
SCHEMBL4665277 0.83 TSHR (0.46) TACR3KCNH2TSHRPDE10ACYP3A4
SCHEMBL4667109 0.83 TACR3 (0.46) TACR3KCNH2
SCHEMBL27745642 0.81 TACR3 (0.55) TACR3KCNH2
SCHEMBL4668577 0.81 TACR3 (0.36) TACR3KCNH2TSHRPDE10A
SCHEMBL4665274 0.81 TACR3 (0.45) TACR3KCNH2TSHR

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