SCHEMBL4757761

SCHEMBL4757761

CCN1CC=C(c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.77

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
SCHEMBL13985239 0.92 CALCRL (0.76) CALCRL
SCHEMBL4757921 0.92 CALCRL (0.79) CALCRL
SCHEMBL13985041 0.92 CALCRL (0.74) CALCRL
SCHEMBL13985074 0.91 CALCRL (0.79) CALCRL
SCHEMBL13985175 0.88 CALCRL (1.00) CALCRL
SCHEMBL13985091 0.87 CALCRL (0.80) CALCRL
SCHEMBL4757754 0.87 CALCRL (0.71) CALCRL
SCHEMBL4755103 0.86 CALCRL (1.00) CALCRL
SCHEMBL13985215 0.84 CALCRL (0.89) CALCRL
SCHEMBL13985237 0.84 CALCRL (0.85) CALCRL

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
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed