SCHEMBL14488209

SCHEMBL14488209

Cc1ccccc1CN1CCN(c2nc(-c3ccc(F)c(F)c3)ns2)CC1.N#Cc1ccc(-c2nsc(N3CCN(CCc4ccccc4)CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.39
FAAH O00519 8/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
KCNH2 Q12809 2/20 0.36
KCNJ1 P48048 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL14488136 0.89 ABCC1 (0.40) ABCC1FAAHMEN1KMT2ANPC1
SCHEMBL14488408 0.87 KDM4E (0.40) FAAHMEN1KMT2ANPC1RAB9A
SCHEMBL14488441 0.85 KDM4E (0.43) FAAHMEN1KMT2ANPC1RAB9A
SCHEMBL14486930 0.85 KMT2A (0.50) FAAHMEN1KMT2ANPC1RAB9A
SCHEMBL14486245 0.85 KMT2A (0.50) FAAHMEN1KMT2ANPC1RAB9A
SCHEMBL14486574 0.83 FAAH (0.46) FAAHDRD2
SCHEMBL14486591 0.83 KCNH2 (0.51) ABCC1FAAHNPC1RAB9AADRA1D
SCHEMBL14488300 0.83 FAAH (0.40) FAAHMEN1KMT2ANPC1RAB9A
SCHEMBL14486564 0.83 HRH3 (0.47) ABCC1FAAHADRA1DADRA1AADRA1B
SCHEMBL14486474 0.79 KMT2A (0.47) FAAHMEN1KMT2ANPC1RAB9A

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