SCHEMBL4667486

SCHEMBL4667486

CN(C)C(=O)c1c(-c2ccccc2)nc2ccccc2c1C(=O)NCCCc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TACR3 P29371 8/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
ACKR3 P25106 2/20 0.44
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
CYP2C9 P11712 1/20 0.42
TP53 P04637 1/20 0.42
NAMPT P43490 1/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL4667125 0.91 LMNA (0.62) LMNATACR3L3MBTL1TP53
SCHEMBL4667071 0.84 LMNA (0.71) LMNATACR3L3MBTL1TP53
SCHEMBL4961957 0.82 TACR3 (0.51) LMNATACR3L3MBTL1CYP2C9
SCHEMBL5049044 0.82 LMNA (0.55) LMNATACR3L3MBTL1CYP2C9TP53
SCHEMBL4667483 0.82 LMNA (0.55) LMNATACR3L3MBTL1CYP2C9TP53
SCHEMBL4962172 0.80 TACR3 (0.50) LMNATACR3L3MBTL1
SCHEMBL4667053 0.79 TACR3 (0.55) LMNATACR3OPRM1
SCHEMBL4667525 0.78 LMNA (0.50) LMNATACR3L3MBTL1CYP2C9TP53
SCHEMBL4667111 0.78 LMNA (0.49) LMNATACR3L3MBTL1CYP2C9TP53
SCHEMBL4964876 0.77 TACR3 (0.51) LMNATACR3L3MBTL1

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