SCHEMBL3144358

SCHEMBL3144358

O=C(Cc1ccc(F)cc1)NCCN1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1.O=C(NCCN1CCN(c2nc(Cc3ccccc3)ns2)CC1)c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLS O94925 6/20 0.50
HTR1A P08908 4/20 0.47
DRD4 P21917 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2007262 0.93 HTR1A (0.52) HTR1ADRD4TP53MAPTHSD17B10
SCHEMBL2002301 0.93 HTR1A (0.49) GLSHTR1ADRD4TP53MAPT
SCHEMBL2006828 0.91 ALDH1A1 (0.49) GLSHTR1ATP53POLB
SCHEMBL2005541 0.88 HTR1A (0.52) HTR1ADRD4
SCHEMBL2002796 0.88 KMT2A (0.45) GLSHTR1ATP53POLB
SCHEMBL2005080 0.87 DRD4 (0.49) HTR1ADRD4MAPTPOLB
SCHEMBL4685114 0.84 HTR1A (0.46) HTR1ADRD4MAPTHSD17B10
SCHEMBL2005025 0.84 HTR1A (0.54) HTR1ADRD4MAPTHSD17B10
SCHEMBL4687884 0.84 HTR1A (0.52) HTR1ADRD4
SCHEMBL2007150 0.83 POLB (0.52) TP53POLB

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 1 patent. 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