SCHEMBL4757784

SCHEMBL4757784

Cc1ncc(-c2cc(Cl)cc(-c3nnc(CC(=O)O)o3)c2)n1C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 9/20 0.53
SMN1; SMN2 Q16637 1/20 0.38
DYRK1A Q13627 3/20 0.37
GSK3B P49841 2/20 0.37
KAT5 Q92993 3/20 0.35
ATR Q13535 1/20 0.35
NOTUM Q6P988 1/20 0.34
KAT7 O95251 1/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4755690 0.81 CALCRL (0.40) CALCRLSMN1; SMN2NOTUMMAPT
SCHEMBL4758257 0.80 RXRA (0.43) CALCRLSMN1; SMN2NOTUMMAPTL3MBTL1
SCHEMBL4757912 0.78 RXRA (0.38) CALCRLSMN1; SMN2KAT5ATRNOTUM
SCHEMBL4756909 0.77 RXRA (0.37) CALCRLSMN1; SMN2KAT5ATRNOTUM
SCHEMBL4757749 0.76 CALCRL (0.38) CALCRLSMN1; SMN2ATRNOTUMMAPT
SCHEMBL4755677 0.75 CALCRL (0.54) CALCRLSMN1; SMN2MAPT
SCHEMBL4758251 0.74 CALCRL (0.46) CALCRLSMN1; SMN2NOTUMMAPTL3MBTL1
SCHEMBL4757918 0.73 CALCRL (0.40) CALCRLSMN1; SMN2GSK3BNOTUMMAPT
Lithium SCHEMBL4757927 0.73 CALCRL (0.40) CALCRLSMN1; SMN2GSK3BNOTUMMAPT
SCHEMBL13985184 0.71 CALCRL (0.71) 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