Sugi Predict

Sugi Predict / Compounds / SCHEMBL4665213

SCHEMBL4665213

SCHEMBL4665213

COC(=O)C(NC(=O)c1c(CN2CCCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 15/20 0.72
▸ TACR2 P21452 14/20 0.72
▸ TRPV4 Q9HBA0 5/20 0.63
▸ OPRM1 P35372 7/20 0.62
▸ KCNH2 Q12809 1/20 0.62

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
SCHEMBL4778600 0.92 TACR3 (0.66) TACR3TACR2TRPV4OPRM1KCNH2
SCHEMBL6448747 0.85 TACR3 (0.72) TACR3TACR2OPRM1
SCHEMBL6450084 0.85 TACR3 (0.72) TACR3TACR2OPRM1
SCHEMBL1581398 0.82 TACR3 (0.71) TACR3TACR2OPRM1
SCHEMBL14086258 0.82 TACR3 (0.56) TACR3TACR2OPRM1
SCHEMBL4666997 0.82 TACR3 (0.59) TACR3TACR2OPRM1
SCHEMBL1580929 0.82 TACR3 (0.72) TACR3TACR2OPRM1
SCHEMBL14090898 0.82 TACR3 (0.59) TACR3TACR2OPRM1
SCHEMBL4665958 0.81 TACR3 (0.55) TACR3TACR2OPRM1
SCHEMBL5004647 0.81 TACR3 (0.56) 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-1940795-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS AstraZeneca AB (SE) 2008-07-09 — — EP disclosed
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 disclosed