SCHEMBL4667068

SCHEMBL4667068

CCN(C(=O)c1c(C[N+]2([O-])CCN(C)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 11/20 0.41
TACR2 P21452 9/20 0.41
OPRM1 P35372 6/20 0.41
KCNH2 Q12809 2/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL4665925 0.92 TACR3 (0.40) TACR3TACR2OPRM1KCNH2LMNA
SCHEMBL4667073 0.92 TACR3 (0.40) TACR3TACR2OPRM1KCNH2LMNA
SCHEMBL4665218 0.89 TACR3 (0.44) TACR3TACR2OPRM1KCNH2LMNA
SCHEMBL4665876 0.87 TACR3 (0.40) TACR3TACR2OPRM1KCNH2LMNA
SCHEMBL28773315 0.84 TACR3 (0.55) TACR3TACR2OPRM1KCNH2
SCHEMBL4665274 0.83 TACR3 (0.45) TACR3KCNH2
SCHEMBL4668596 0.82 OPRM1 (0.45) TACR3OPRM1KCNH2
SCHEMBL4667024 0.80 AGER (0.40) TACR3TACR2OPRM1LMNA
SCHEMBL4667069 0.79 TACR3 (0.47) TACR3TACR2OPRM1KCNH2LMNA
SCHEMBL4665898 0.79 TACR2 (0.65) TACR3TACR2OPRM1

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