SCHEMBL4665218

SCHEMBL4665218

CCN(C(=O)c1c(C[N+]2([O-])CCOCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 12/20 0.44
TACR2 P21452 7/20 0.44
KCNH2 Q12809 3/20 0.39
OPRM1 P35372 5/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4667073 0.93 TACR3 (0.40) TACR3TACR2KCNH2OPRM1LMNA
SCHEMBL4665925 0.93 TACR3 (0.40) TACR3TACR2KCNH2OPRM1LMNA
SCHEMBL4667068 0.89 TACR3 (0.41) TACR3TACR2KCNH2OPRM1LMNA
SCHEMBL4665870 0.86 TACR3 (0.38) TACR3TACR2KCNH2LMNA
SCHEMBL4667103 0.83 TSHR (0.47) TACR3TACR2KCNH2LMNA
SCHEMBL27724853 0.82 TACR3 (0.64) TACR3TACR2KCNH2OPRM1
SCHEMBL4668627 0.80 OPRM1 (0.41) TACR3OPRM1
SCHEMBL4667024 0.80 AGER (0.40) TACR3TACR2OPRM1LMNAPOLB
SCHEMBL4667476 0.80 TACR3 (0.41) TACR3KCNH2
SCHEMBL4665287 0.79 FNTA (0.39) TACR3LMNAALDH1A1

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