SCHEMBL4668624

SCHEMBL4668624

CCN(C(=O)c1c(C[N+]2([O-])CCN(C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.35
TACR2 P21452 2/20 0.34

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
SCHEMBL4668567 0.92 TACR3 (0.37) TACR3KDM4EALDH1A1L3MBTL1TSHR
SCHEMBL4668577 0.89 TACR3 (0.36) TACR3KCNH2KDM4EALDH1A1L3MBTL1
SCHEMBL4665274 0.86 TACR3 (0.45) TACR3KCNH2KDM4EALDH1A1L3MBTL1
SCHEMBL4667074 0.85 TACR3 (0.53) TACR3KCNH2KDM4EALDH1A1TSHR
SCHEMBL4668628 0.79 LMNA (0.49) TACR3KCNH2ALDH1A1TACR2
SCHEMBL5004648 0.79 TACR3 (0.39) TACR3KCNH2TACR2
SCHEMBL4667068 0.78 TACR3 (0.41) TACR3KCNH2TACR2
SCHEMBL4665272 0.77 TSHR (0.47) TACR3KCNH2KDM4EALDH1A1L3MBTL1
SCHEMBL4665277 0.77 TSHR (0.46) TACR3KCNH2KDM4EALDH1A1L3MBTL1
SCHEMBL4665876 0.75 TACR3 (0.40) TACR3KCNH2TACR2

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 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