SCHEMBL3143748

SCHEMBL3143748

O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1.O=C(Nc1ccccc1F)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.58
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TRPV1 Q8NER1 4/20 0.48
CNR1 P21554 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.42

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
SCHEMBL2005538 0.96 GAA (0.52) FAAHGAAKDM4ELMNAPOLB
SCHEMBL2004199 0.93 FAAH (0.66) FAAHKDM4EPOLBMAPTSMN1; SMN2
SCHEMBL27729580 0.84 FAAH (0.52) FAAHKDM4EPOLBMAPTSMN1; SMN2
SCHEMBL2006893 0.84 FAAH (0.63) FAAHKDM4EPOLBMAPTSMN1; SMN2
SCHEMBL2005985 0.82 TRPV1 (0.44) GAAKDM4ELMNAPOLBMAPT
SCHEMBL2004940 0.81 FAAH (0.71) FAAHLMNAMAPTSMN1; SMN2CNR1
SCHEMBL27749354 0.81 CNR1 (0.49) FAAHPOLBMAPTTP53SMN1; SMN2
SCHEMBL25155035 0.79 GAA (0.59) FAAHGAAKDM4ELMNAPOLB
SCHEMBL12569101 0.77 CNR1 (0.59) FAAHPOLBMAPTSMN1; SMN2CNR1
SCHEMBL2004435 0.77 FAAH (0.56) FAAHPOLBMAPTSMN1; SMN2CNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP claimed
EP-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 EP claimed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO claimed