SCHEMBL4665219

SCHEMBL4665219

O=C(NCCC1CCCCC1)c1c(C[N+]2([O-])CCOCC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 13/20 0.47
TACR2 P21452 10/20 0.47
LMNA P02545 2/20 0.45
OPRM1 P35372 6/20 0.43
KCNH2 Q12809 3/20 0.42
ADORA2A P29274 1/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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 0.93 LMNA (0.48) TACR3TACR2LMNAOPRM1KCNH2
SCHEMBL4667076 0.93 LMNA (0.48) TACR3TACR2LMNAOPRM1KCNH2
SCHEMBL4667069 0.88 TACR3 (0.47) TACR3TACR2LMNAOPRM1KCNH2
SCHEMBL4667106 0.85 LMNA (0.64) TACR3TACR2LMNATP53ALDH1A1
SCHEMBL4667478 0.83 LMNA (0.56) TACR3TACR2LMNATP53ALDH1A1
SCHEMBL4665944 0.82 TACR3 (0.71) TACR3TACR2OPRM1
SCHEMBL6625208 0.81 LMNA (0.53) TACR3TACR2LMNAOPRM1TP53
SCHEMBL4668578 0.80 LMNA (0.48) TACR3TACR2LMNAKCNH2TP53
SCHEMBL4665278 0.79 LMNA (0.66) TACR3TACR2LMNAOPRM1TP53
SCHEMBL7003424 0.79 LMNA (0.50) TACR3TACR2LMNAOPRM1KCNH2

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