SCHEMBL4756909

SCHEMBL4756909

Cc1nc(-c2cc(Cl)cc(-c3nnc(CC(=O)O)o3)c2)cn1C.[LiH]

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.37
RXRB P28702 5/20 0.37
RXRG P48443 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATR Q13535 1/20 0.36
CALCRL Q16602 5/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
KAT6A Q92794 3/20 0.34
KAT5 Q92993 2/20 0.34
NR4A2 P43354 2/20 0.34
KAT7 O95251 1/20 0.34
NOTUM Q6P988 1/20 0.33
NR4A1 P22736 1/20 0.33
NR4A3 Q92570 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
SCHEMBL4757912 0.99 RXRA (0.38) RXRARXRBRXRGSMN1; SMN2ATR
SCHEMBL4755690 0.80 CALCRL (0.40) SMN1; SMN2CALCRLNOTUM
SCHEMBL4758257 0.79 RXRA (0.43) RXRARXRBRXRGSMN1; SMN2CALCRL
SCHEMBL4757784 0.77 CALCRL (0.53) SMN1; SMN2ATRCALCRLKAT5KAT7
SCHEMBL4755677 0.74 CALCRL (0.54) SMN1; SMN2CALCRL
SCHEMBL4758251 0.74 CALCRL (0.46) RXRARXRBRXRGSMN1; SMN2CALCRL
SCHEMBL4757749 0.73 CALCRL (0.38) RXRARXRBRXRGSMN1; SMN2ATR
SCHEMBL4757886 0.72 NOTUM (0.48) RXRARXRBRXRGSMN1; SMN2CALCRL
SCHEMBL4757918 0.72 CALCRL (0.40) SMN1; SMN2CALCRLNOTUM
SCHEMBL4758259 0.71 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