SCHEMBL22248679

SCHEMBL22248679

CC(COc1ccc(-n2ccc(NC(=O)N3CCNCC3)nc2=O)cc1)N1CCC(N)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
FAAH O00519 1/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ABL1 P00519 1/20 0.31
ACACB O00763 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 2/20 0.31
MCHR1 Q99705 1/20 0.31
GPR119 Q8TDV5 3/20 0.30
FLT3 P36888 1/20 0.30

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
SCHEMBL22248912 0.88 DRD3 (0.35) DRD3SIGMAR1GSK3BDYRK1AFAAH
SCHEMBL22249139 0.88 POLB (0.33) GSK3BDYRK1AATMPOLB
SCHEMBL22248269 0.87 TPSAB1 (0.33) DRD3TPSAB1TPSD1TPSG1FAAH
SCHEMBL22254662 0.86 DRD3 (0.34) DRD3SIGMAR1GSK3BDYRK1AFAAH
Hydrochloric Acid SCHEMBL22233898 0.85 DRD3 (0.33) DRD3SIGMAR1GSK3BDYRK1AFAAH
SCHEMBL22254196 0.82 MCHR1 (0.39) MAPTMCHR1
SCHEMBL22255013 0.82 PTGS1 (0.34) GSK3BDYRK1APOLBMAPTABL1
SCHEMBL22255010 0.81 POLB (0.34) GSK3BDYRK1APOLB
SCHEMBL22254996 0.80 DRD2 (0.33) DRD3SIGMAR1TPSAB1TPSD1TPSG1
SCHEMBL22248447 0.79 SIGMAR1 (0.43) DRD3SIGMAR1MCHR1GPR119

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
WO-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed