SCHEMBL13985273

SCHEMBL13985273

O=C(Cc1nnc(-c2cc(Cl)cc(C3=CCN(CC(F)(F)F)CC3)c2)o1)N1CCC(N2CCc3ccccc3NC2=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.63
CYP3A4 P08684 3/20 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
SCHEMBL4757926 0.92 CALCRL (0.64) CALCRL
SCHEMBL4758237 0.89 CALCRL (0.69) CALCRL
SCHEMBL4756914 0.87 CALCRL (0.67) CALCRL
SCHEMBL4755088 0.87 CALCRL (0.67) CALCRL
SCHEMBL4756981 0.86 CALCRL (0.79) CALCRL
SCHEMBL13985210 0.85 CALCRL (0.68) CALCRL
Trifluoroacetic Acid SCHEMBL4758283 0.85 CALCRL (0.63) CALCRL
SCHEMBL4756916 0.85 CALCRL (0.66) CALCRL
SCHEMBL13985079 0.83 CALCRL (0.72) CALCRL
SCHEMBL13985022 0.81 CALCRL (0.69) 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 1 patent. 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