SCHEMBL4667073

SCHEMBL4667073

CCN(C(=O)c1c(C[N+]2([O-])CCCCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 11/20 0.40
TACR2 P21452 8/20 0.40
OPRM1 P35372 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.39
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 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

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 1.00 TACR3 (0.40) TACR3TACR2OPRM1L3MBTL1ALDH1A1
SCHEMBL4665218 0.93 TACR3 (0.44) TACR3TACR2OPRM1L3MBTL1ALDH1A1
SCHEMBL4667068 0.92 TACR3 (0.41) TACR3TACR2OPRM1LMNAKCNH2
SCHEMBL4667024 0.87 AGER (0.40) TACR3TACR2OPRM1ALDH1A1LMNA
SCHEMBL4665287 0.86 FNTA (0.39) TACR3ALDH1A1LMNAMEN1KMT2A
SCHEMBL4665277 0.84 TSHR (0.46) TACR3TACR2L3MBTL1ALDH1A1LMNA
SCHEMBL4665272 0.83 TSHR (0.47) TACR3TACR2L3MBTL1ALDH1A1LMNA
SCHEMBL4667460 0.81 MEN1 (0.42) TACR3OPRM1MEN1KMT2A
SCHEMBL4665269 0.80 TACR3 (0.42) TACR3TACR2KCNH2
SCHEMBL4667560 0.80 MEN1 (0.43) TACR3OPRM1MEN1KMT2A

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