SCHEMBL4667524

SCHEMBL4667524

CCCN(C(=O)c1c(C[N+]2([O-])CCCC2)c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 16/20 0.47
DHODH Q02127 1/20 0.39
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 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
SCHEMBL4667109 0.99 TACR3 (0.46) TACR3DHODHMAPTTHRBCYP2C9
SCHEMBL4668635 0.91 TACR3 (0.43) TACR3
SCHEMBL4665269 0.90 TACR3 (0.42) TACR3
SCHEMBL4665272 0.84 TSHR (0.47) TACR3DHODH
SCHEMBL4667476 0.84 TACR3 (0.41) TACR3
SCHEMBL4665277 0.83 TSHR (0.46) TACR3DHODH
SCHEMBL4667482 0.83 TACR3 (0.47) TACR3DHODHMAPTTHRBCYP2C9
SCHEMBL4667051 0.80 TACR3 (0.55) TACR3
SCHEMBL4667560 0.78 MEN1 (0.43) TACR3CYP2C9
SCHEMBL4961950 0.78 TACR3 (0.54) TACR3

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