Sugi Predict

Sugi Predict / Compounds / SCHEMBL7090056

SCHEMBL7090056

SCHEMBL7090056

CCCN(C(=O)c1c(CN2CCN(S(=O)(=O)CCC(=O)OC)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 19/20 0.48
▸ KCNH2 Q12809 9/20 0.48
▸ TACR2 P21452 10/20 0.44
▸ OPRM1 P35372 6/20 0.41

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
SCHEMBL7006354 0.80 TACR3 (0.47) TACR3KCNH2TACR2OPRM1
SCHEMBL6999030 0.80 TACR3 (0.48) TACR3KCNH2TACR2OPRM1
SCHEMBL5931065 0.76 TACR3 (0.70) TACR3KCNH2TACR2OPRM1
SCHEMBL4229627 0.73 TACR3 (0.80) TACR3KCNH2TACR2
SCHEMBL27745642 0.71 TACR3 (0.55) TACR3KCNH2TACR2OPRM1
SCHEMBL6852926 0.71 TACR3 (0.60) TACR3KCNH2TACR2OPRM1
SCHEMBL4238697 0.70 TACR3 (0.85) TACR3KCNH2TACR2
SCHEMBL4667051 0.70 TACR3 (0.55) TACR3KCNH2TACR2OPRM1
SCHEMBL4667074 0.70 TACR3 (0.53) TACR3KCNH2TACR2OPRM1
SCHEMBL5931004 0.69 TACR2 (0.73) 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-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