SCHEMBL14488441

SCHEMBL14488441

Cc1ccccc1CN1CCN(c2nc(-c3ccc(F)c(F)c3)ns2)CC1.Fc1ccc(-c2nsc(N3CCN(CCc4ccc(Cl)cc4)CC3)n2)cc1F.Fc1ccc(CCN2CCN(c3nc(-c4ccc(F)c(F)c4)ns3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
FAAH O00519 5/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ADRA1D P25100 3/20 0.38
ADRA1A P35348 3/20 0.38
ADRA1B P35368 3/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2C9 P11712 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL14488300 0.91 FAAH (0.40) KDM4ELMNAFAAHKMT2AMEN1
SCHEMBL14488303 0.89 HTR1A (0.46) FAAHNPC1RAB9AHTR1ADRD2
SCHEMBL14486930 0.87 KMT2A (0.50) KDM4ELMNAFAAHKMT2AMEN1
SCHEMBL14486465 0.86 FAAH (0.43) FAAHNPC1RAB9AADRA1DADRA1A
SCHEMBL14488317 0.85 HTR2A (0.40) KDM4ELMNAFAAHKMT2AMEN1
SCHEMBL14486057 0.85 FAAH (0.46) FAAHHTR1ADRD2DRD1DRD5
SCHEMBL14488209 0.85 ABCC1 (0.39) FAAHKMT2AMEN1NPC1RAB9A
SCHEMBL14488136 0.85 ABCC1 (0.40) KDM4ELMNAFAAHKMT2AMEN1
SCHEMBL14486340 0.83 LMNA (0.59) KDM4ELMNAFAAHKMT2AMEN1
SCHEMBL14486079 0.83 HTR1A (0.50) FAAHKMT2AADRA1DADRA1AADRA1B

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
EP-2726470-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES reMynd NV (BE) 2014-05-07 EP disclosed
WO-2013004642-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES REMYND NV (BE) 2013-01-10 WO disclosed