SCHEMBL14488124

SCHEMBL14488124

Clc1ccc(CCN2CCN(c3nc(-c4cccc(Cl)c4)ns3)CC2)cc1.Fc1ccc(CCN2CCN(c3nc(-c4cccc(Cl)c4)ns3)CC2)cc1.Fc1ccc(CCN2CCN(c3nc(-c4cccc(F)c4)ns3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.45
SIGMAR1 Q99720 4/20 0.43
HTR1A P08908 4/20 0.43
DRD2 P14416 4/20 0.43
HTR2A P28223 4/20 0.43
DRD3 P35462 4/20 0.43
TMEM97 Q5BJF2 3/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
HTR2C P28335 3/20 0.40
HRH1 P35367 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD4 P21917 2/20 0.40
HTR7 P34969 2/20 0.40

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
SCHEMBL14486342 0.95 FAAH (0.48) FAAHSIGMAR1HTR1ADRD2HTR2A
SCHEMBL14486582 0.95 FAAH (0.48) FAAHSIGMAR1HTR1ADRD2HTR2A
SCHEMBL14486415 0.92 FAAH (0.51) FAAHSIGMAR1HTR1AHTR7
SCHEMBL14486078 0.92 FAAH (0.51) FAAHHTR1ADRD2HTR2ADRD3
SCHEMBL14486079 0.87 HTR1A (0.50) FAAHSIGMAR1HTR1ADRD2HTR2A
SCHEMBL14488192 0.87 FAAH (0.46) FAAHSIGMAR1DRD2
SCHEMBL14488568 0.87 FAAH (0.48) FAAHSIGMAR1HTR1AHTR7
SCHEMBL14488303 0.87 HTR1A (0.46) FAAHSIGMAR1HTR1ADRD2HTR2A
SCHEMBL14486677 0.86 SIGMAR1 (0.57) FAAHSIGMAR1HTR1ADRD2DRD3
SCHEMBL14486842 0.86 FAAH (0.56) FAAHHTR1ADRD2DRD3DRD4

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 claimed
WO-2013004642-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES REMYND NV (BE) 2013-01-10 WO claimed