SCHEMBL4668719

SCHEMBL4668719

C[C@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1C#N

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.57
TACR2 P21452 1/20 0.57

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
SCHEMBL4665574 0.90 TACR3 (0.57) TACR3TACR2
SCHEMBL4667323 0.90 TACR3 (0.57) TACR3TACR2
SCHEMBL4665598 0.87 TACR3 (0.50) TACR3TACR2
SCHEMBL4667840 0.87 TACR3 (0.59) TACR3TACR2
SCHEMBL5042628 0.86 TACR3 (0.62) TACR3TACR2
SCHEMBL4665564 0.84 TACR3 (0.61) TACR3TACR2
SCHEMBL4602190 0.78 TACR3 (0.64) TACR3TACR2
SCHEMBL4665583 0.78 TACR3 (0.69) TACR3TACR2
SCHEMBL14094519 0.78 TACR3 (0.60) TACR3TACR2
SCHEMBL14015180 0.77 TACR3 (0.62) TACR3TACR2

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-1928834-A1 ALKYLNITRILE QUINOLINES, AS NK-3 RECEPTOR LIGANDS AstraZeneca AB (SE) 2008-06-11 EP claimed
WO-2007035157-A1 ALKYLNITRILE QUINOLINES, AS NK-3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-03-29 WO claimed