SCHEMBL7200846

SCHEMBL7200846

C=CS(=O)(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NCCCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
TACR3 P29371 17/20 0.49
KCNH2 Q12809 6/20 0.49
TACR2 P21452 11/20 0.49
OPRM1 P35372 6/20 0.47
TRPV4 Q9HBA0 1/20 0.44

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
SCHEMBL5931058 0.79 TACR3 (0.74) TACR3TACR2OPRM1
SCHEMBL5931060 0.79 TACR3 (0.74) TACR3TACR2OPRM1
SCHEMBL5049830 0.78 LMNA (0.67) LMNATACR3TACR2OPRM1
SCHEMBL4667053 0.78 TACR3 (0.55) LMNATACR3KCNH2TACR2OPRM1
SCHEMBL5047970 0.76 LMNA (0.67) LMNATACR3TACR2OPRM1
SCHEMBL6996768 0.76 LMNA (0.63) LMNATACR3KCNH2TACR2OPRM1
SCHEMBL3870523 0.74 LMNA (0.65) LMNATACR3TACR2OPRM1
SCHEMBL4668093 0.73 LMNA (0.65) LMNATACR3TACR2
SCHEMBL7164730 0.73 TACR3 (0.60) TACR3KCNH2TACR2OPRM1TRPV4
SCHEMBL16553849 0.73 LMNA (0.67) LMNATACR3TACR2

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-1334088-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2003-08-13 EP disclosed
WO-2002038548-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. (IT) 2002-05-16 WO disclosed