SCHEMBL14488192

SCHEMBL14488192

Clc1ccc(-c2nsc(N3CCN(CCc4cccc(Cl)c4)CC3)n2)cc1.Fc1cccc(CCN2CCN(c3nc(-c4ccc(Cl)cc4)ns3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.46
SLC6A3 Q01959 2/20 0.46
SIGMAR1 Q99720 1/20 0.43
GRM2 Q14416 1/20 0.40
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CNR2 P34972 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
SCHEMBL14486525 0.97 FAAH (0.48) FAAHSLC6A3SIGMAR1GRM2DRD2
SCHEMBL14486515 0.94 FAAH (0.51) FAAHSIGMAR1DRD2NPC1RAB9A
SCHEMBL14488728 0.89 FAAH (0.46) FAAHSLC6A3SIGMAR1DRD2SLC6A4
SCHEMBL14486582 0.87 FAAH (0.48) FAAHSLC6A3SIGMAR1DRD2CNR2
SCHEMBL14488124 0.87 FAAH (0.45) FAAHSIGMAR1DRD2
SCHEMBL14488428 0.86 FAAH (0.47) FAAHSIGMAR1CNR2
SCHEMBL14488168 0.85 FAAH (0.44) FAAHSIGMAR1DRD2
SCHEMBL14488141 0.85 FAAH (0.48) FAAHSIGMAR1DRD2NPC1RAB9A
SCHEMBL14488232 0.85 FAAH (0.45) FAAHSIGMAR1NPC1RAB9ACNR2
SCHEMBL14486079 0.85 HTR1A (0.50) FAAHSIGMAR1DRD2

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