SCHEMBL4667076

SCHEMBL4667076

O=C(NCCC1CCCCC1)c1c(C[N+]2([O-])CCCCC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TACR3 P29371 11/20 0.45
TACR2 P21452 10/20 0.45
OPRM1 P35372 6/20 0.45
TP53 P04637 1/20 0.43
KCNH2 Q12809 1/20 0.41
TRPV4 Q9HBA0 2/20 0.40

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
SCHEMBL4665926 1.00 LMNA (0.48) LMNATACR3TACR2OPRM1TP53
SCHEMBL4665219 0.93 TACR3 (0.47) LMNATACR3TACR2OPRM1TP53
SCHEMBL4667069 0.91 TACR3 (0.47) LMNATACR3TACR2OPRM1KCNH2
SCHEMBL4665278 0.86 LMNA (0.66) LMNATACR3TACR2OPRM1TP53
SCHEMBL4665273 0.85 LMNA (0.67) LMNATACR3TACR2TP53
SCHEMBL6625208 0.84 LMNA (0.53) LMNATACR3TACR2OPRM1TP53
SCHEMBL4665270 0.84 LMNA (0.58) LMNATACR3TACR2OPRM1TP53
SCHEMBL4668637 0.83 LMNA (0.59) LMNATACR3TACR2TP53
SCHEMBL7003424 0.82 LMNA (0.50) LMNATACR3TACR2OPRM1TP53
SCHEMBL6626579 0.81 ALDH1A1 (0.56) LMNATACR3TACR2OPRM1TP53

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