SCHEMBL6629503

SCHEMBL6629503

CCCCNCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCCC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.48
TACR3 P29371 12/20 0.48
BCHE P06276 2/20 0.47
TACR2 P21452 8/20 0.47
OPRM1 P35372 5/20 0.47
MAPT P10636 1/20 0.43

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
SCHEMBL6625208 0.84 LMNA (0.53) LMNATP53TACR3TACR2OPRM1
SCHEMBL6629501 0.84 TACR3 (0.43) LMNATP53TACR3TACR2OPRM1
SCHEMBL6626579 0.83 ALDH1A1 (0.56) LMNATP53TACR3TACR2OPRM1
SCHEMBL7003424 0.81 LMNA (0.50) LMNATP53TACR3TACR2OPRM1
SCHEMBL5440405 0.80 PDE10A (0.54) LMNATP53TACR3TACR2
SCHEMBL4667076 0.79 LMNA (0.48) LMNATP53TACR3TACR2OPRM1
SCHEMBL4665926 0.79 LMNA (0.48) LMNATP53TACR3TACR2OPRM1
SCHEMBL5042680 0.79 LMNA (0.47) LMNATP53TACR3TACR2OPRM1
SCHEMBL7096193 0.78 TACR3 (0.69) TACR3TACR2OPRM1
SCHEMBL7164730 0.77 TACR3 (0.60) TACR3TACR2OPRM1

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-1377567-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002083663-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 WO disclosed