SCHEMBL4756934

SCHEMBL4756934

CCOC(=O)c1cc(Cl)cc(C2=CCN(CC(F)(F)F)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.44
PPARA Q07869 7/20 0.44
TRPV1 Q8NER1 1/20 0.40
SIGMAR1 Q99720 7/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL4757771 0.80 PDK4 (0.45) TRPV1
SCHEMBL4755073 0.73 FDFT1 (0.39) ALDH1A1MAPTHPGDDRD2
SCHEMBL4758256 0.72 HTR2C (0.46) SIGMAR1MAPT
SCHEMBL4755099 0.69 TRPV1 (0.36) PPARGPPARATRPV1SIGMAR1KDM4E
SCHEMBL4192586 0.68 HDAC4 (0.56) SIGMAR1KDM4EALDH1A1MAPTTDP1
Lithium Ion SCHEMBL4755102 0.68 TRPV1 (0.35) PPARGPPARATRPV1SIGMAR1KDM4E
SCHEMBL2662880 0.68 CA12 (0.62) TRPV1L3MBTL1
SCHEMBL7589274 0.68 CA12 (0.62) TRPV1KDM4E
SCHEMBL15615318 0.67 CA12 (0.56) TRPV1L3MBTL1
SCHEMBL23448820 0.66 QDPR (0.56) KDM4EALDH1A1MAPTUSP2HPGD

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