SCHEMBL4667069

SCHEMBL4667069

CN1CC[N+]([O-])(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NCCC2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 14/20 0.47
TACR2 P21452 13/20 0.47
OPRM1 P35372 6/20 0.47
LMNA P02545 1/20 0.46
TRPV4 Q9HBA0 2/20 0.42
KCNH2 Q12809 2/20 0.42

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
SCHEMBL4667076 0.91 LMNA (0.48) TACR3TACR2OPRM1LMNATRPV4
SCHEMBL4665926 0.91 LMNA (0.48) TACR3TACR2OPRM1LMNATRPV4
SCHEMBL4665219 0.88 TACR3 (0.47) TACR3TACR2OPRM1LMNAKCNH2
SCHEMBL4665275 0.85 LMNA (0.64) TACR3TACR2LMNAKCNH2
SCHEMBL4665243 0.84 LMNA (0.57) TACR3TACR2LMNAKCNH2
SCHEMBL4665898 0.83 TACR2 (0.65) TACR3TACR2OPRM1TRPV4
SCHEMBL4668628 0.80 LMNA (0.49) TACR3TACR2OPRM1LMNAKCNH2
SCHEMBL6625208 0.80 LMNA (0.53) TACR3TACR2OPRM1LMNATRPV4
SCHEMBL6626579 0.79 ALDH1A1 (0.56) TACR3TACR2OPRM1LMNA
SCHEMBL4665874 0.79 TACR3 (0.61) TACR3TACR2TRPV4

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