SCHEMBL4667053

SCHEMBL4667053

CN1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NCCCc2cccc(F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 13/20 0.55
KCNH2 Q12809 4/20 0.55
LMNA P02545 1/20 0.52
TACR2 P21452 9/20 0.51
OPRM1 P35372 5/20 0.49
TRPV4 Q9HBA0 1/20 0.48

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
SCHEMBL5049044 0.81 LMNA (0.55) TACR3LMNA
SCHEMBL4667483 0.81 LMNA (0.55) TACR3LMNA
SCHEMBL4667486 0.79 LMNA (0.52) TACR3LMNAOPRM1
SCHEMBL4667525 0.79 LMNA (0.50) TACR3LMNATRPV4
SCHEMBL4667111 0.79 LMNA (0.49) TACR3LMNATRPV4
SCHEMBL4961957 0.78 TACR3 (0.51) TACR3LMNATACR2
SCHEMBL7200846 0.78 LMNA (0.52) TACR3KCNH2LMNATACR2OPRM1
SCHEMBL4667075 0.77 TACR3 (0.57) TACR3KCNH2LMNATACR2OPRM1
SCHEMBL4665243 0.76 LMNA (0.57) TACR3KCNH2LMNATACR2
SCHEMBL4962172 0.76 TACR3 (0.50) TACR3LMNA

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