SCHEMBL3399336

SCHEMBL3399336

CN(CCCN1CCC(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 10/20 0.65
RAD52 P43351 3/20 0.62
TP53 P04637 5/20 0.60
MAPK1 P28482 5/20 0.60
CYP1A2 P05177 4/20 0.60
HTR1A P08908 4/20 0.60
CYP2D6 P10635 4/20 0.60
CHRM1 P11229 4/20 0.60
SLC6A2 P23975 4/20 0.60
SLC6A4 P31645 4/20 0.60
ADRA1A P35348 4/20 0.60
DRD3 P35462 4/20 0.60
SLC6A3 Q01959 4/20 0.60
KCNH2 Q12809 4/20 0.60
ABCB1 P08183 3/20 0.60
ADRA2A P08913 3/20 0.60
ADORA3 P0DMS8 3/20 0.60
DRD1 P21728 3/20 0.60
THPO P40225 3/20 0.60
MTOR P42345 3/20 0.60

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
SCHEMBL4278875 0.90 FPR2 (0.60) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL4283601 0.90 TP53 (0.76) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL4273505 0.85 FPR2 (0.75) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL13346862 0.84 LMNA (0.79) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL4279887 0.83 FPR2 (0.84) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL10168007 0.83 FPR2 (0.72) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL10168005 0.83 FPR2 (0.64) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL4277186 0.83 TP53 (0.65) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL4281060 0.83 FPR2 (0.68) FPR2RAD52TP53MAPK1CYP1A2
SCHEMBL4277176 0.82 FPR2 (0.57) FPR2RAD52TP53MAPK1CYP1A2

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-2247293-A2 NOVEL COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES RELATED TO ACTIVATED LYMPHOCYTES Immune Control, Inc. (US) 2010-11-10 EP disclosed
WO-2009108635-A2 NOVEL COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES RELATED TO ACTIVATED LYMPHOCYTES IMMUNE CONTROL, INC. (US) 2009-09-03 WO disclosed