SCHEMBL14488459

SCHEMBL14488459

Cc1ccccc1CN1CCN(c2nc(-c3cc(Cl)ccn3)ns2)CC1.Cc1ccccc1CN1CCN(c2nc(-c3ccc(Cl)cn3)ns2)CC1.Clc1cncc(-c2nsc(N3CCN(CCc4ccccc4)CC3)n2)c1.Fc1ccc(CCN2CCN(c3nc(-c4cncc(Cl)c4)ns3)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.35
DRD2 P14416 4/20 0.34
DRD4 P21917 4/20 0.34
DRD3 P35462 3/20 0.34
HTR2A P28223 2/20 0.34
HTR1A P08908 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
FAAH O00519 3/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL14488343 0.96 MEN1 (0.36) DRD2DRD4HTR2AHTR1ASIGMAR1
SCHEMBL14488162 0.87 DRD4 (0.44) PRKAA2DRD2DRD4DRD3HTR2A
SCHEMBL14488224 0.84 KMT2A (0.46) DRD2DRD4DRD3MEN1NPC1
SCHEMBL14486416 0.79 KMT2A (0.48) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL14486248 0.79 KMT2A (0.51) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL14486417 0.79 HTR1A (0.42) DRD2DRD4DRD3HTR2AHTR1A
SCHEMBL14488129 0.79 DRD2 (0.42) DRD2DRD4DRD3HTR2AHTR1A
SCHEMBL14488441 0.78 KDM4E (0.43) DRD2DRD3HTR2AHTR1ATMEM97
SCHEMBL14488125 0.78 LMNA (0.52) DRD2DRD4DRD3MEN1NPC1
SCHEMBL14488302 0.78 CNR2 (0.39) TMEM97SIGMAR1MEN1NPC1RAB9A

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