SCHEMBL4667111

SCHEMBL4667111

O=C(NCCCc1cccc(F)c1)c1c(C[N+]2([O-])CCCCC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.42
TACR3 P29371 8/20 0.41
TP53 P04637 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAMPT P43490 1/20 0.39
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 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
SCHEMBL4667525 0.99 LMNA (0.50) LMNACYP2C9TACR3TP53TRPV4
SCHEMBL4665270 0.92 LMNA (0.58) LMNATACR3TP53L3MBTL1
SCHEMBL4668637 0.91 LMNA (0.59) LMNATACR3TP53L3MBTL1
SCHEMBL4665278 0.86 LMNA (0.66) LMNATACR3TP53
SCHEMBL4665273 0.85 LMNA (0.67) LMNATACR3TP53
SCHEMBL4667478 0.83 LMNA (0.56) LMNATACR3TP53L3MBTL1
SCHEMBL5049044 0.81 LMNA (0.55) LMNACYP2C9TACR3TP53L3MBTL1
SCHEMBL4667483 0.81 LMNA (0.55) LMNACYP2C9TACR3TP53L3MBTL1
SCHEMBL4665243 0.81 LMNA (0.57) LMNATACR3TP53L3MBTL1
SCHEMBL4667053 0.79 TACR3 (0.55) LMNATACR3TRPV4

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