SCHEMBL15543282

SCHEMBL15543282

O=C(COc1ccc(CCC=NOCc2ccc(C(F)(F)F)cc2)cc1)N1CCC2(CC1)CC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDH1 P40925 1/20 0.45
MDH2 P40926 1/20 0.45
ENPP2 Q13822 5/20 0.43
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
YAP1 P46937 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
GHSR Q92847 1/20 0.39
TSHR P16473 2/20 0.39
SLC6A5 Q9Y345 3/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL15543325 0.91 MDH1 (0.46) MDH1MDH2ENPP2USP2ALDH1A1
SCHEMBL15543665 0.90 FKBP1A (0.47) ENPP2USP2ALDH1A1GHSRLMNA
SCHEMBL15543166 0.88 FKBP1A (0.51) MDH1MDH2ENPP2USP2ALDH1A1
SCHEMBL15543111 0.88 GHSR (0.52) ALDH1A1GHSR
SCHEMBL15543370 0.86 MDH1 (0.40) MDH1MDH2ENPP2ALDH1A1YAP1
SCHEMBL15542804 0.84 GPR183 (0.48) USP2ALDH1A1GHSRLMNAMAPT
SCHEMBL15543206 0.82 L3MBTL1 (0.51) MDH1MDH2ENPP2HRH3SLC6A5
SCHEMBL4729104 0.81 PPARD (0.52) MAOB
SCHEMBL16468578 0.81 MDH1 (0.48) MDH1MDH2ENPP2USP2ALDH1A1
SCHEMBL15543323 0.81 MDH1 (0.48) MDH1MDH2ENPP2USP2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864309-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER DISEASES Cadila Healthcare Limited (IN) 2015-04-29 EP claimed
WO-2014002105-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER DISEASES CADILA HEALTHCARE LIMITED (IN) 2014-01-03 WO claimed
EP-2864309-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER DISEASES Cadila Healthcare Limited (IN) 2015-04-29 EP disclosed
WO-2014002105-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER DISEASES CADILA HEALTHCARE LIMITED (IN) 2014-01-03 WO disclosed