SCHEMBL6858736

SCHEMBL6858736

CC(C)(C)c1ccc(N=C(N)N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 7/20 1.00
SLC22A1 O15245 7/20 1.00
SLC22A3 O75751 7/20 1.00
POLB P06746 1/20 0.64
PLAU P00749 7/20 0.63
HTR3E A5X5Y0 5/20 0.63
HTR3B O95264 5/20 0.63
HTR3A P46098 5/20 0.63
HTR3D Q70Z44 5/20 0.63
HTR3C Q8WXA8 5/20 0.63
PRSS1 P07477 1/20 0.63
ACR P10323 1/20 0.63
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ADRA2A P08913 4/20 0.52

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
SCHEMBL16489286 0.86 SLC22A2 (0.76) SLC22A2SLC22A1SLC22A3PRSS1ACR
SCHEMBL19038559 0.84 SLC22A2 (0.71) SLC22A2SLC22A1SLC22A3POLBPLAU
SCHEMBL6437580 0.77 HTR3E (1.00) SLC22A2SLC22A1SLC22A3POLBPLAU
SCHEMBL4983449 0.77 SIGMAR1 (0.66) SLC22A2SLC22A1SLC22A3CYP2D6TDP1
SCHEMBL4980439 0.75 SLC22A2 (0.59) SLC22A2SLC22A1SLC22A3PLAUHTR3E
SCHEMBL166140 0.73 SLC22A2 (1.00) SLC22A2SLC22A1SLC22A3POLBPLAU
SCHEMBL6183452 0.72 SLC22A2 (0.57) SLC22A2SLC22A1SLC22A3PLAUHTR3E
SCHEMBL742186 0.72 SLC22A2 (0.56) SLC22A2SLC22A1SLC22A3CA1CA2
SCHEMBL13632763 0.72 SLC22A2 (0.56) SLC22A2SLC22A1SLC22A3CA1CA2
SCHEMBL1738380 0.72 POLB (0.82) SLC22A2SLC22A1SLC22A3POLBPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787569-B1 INHIBITORS OF NEUROTRANSMITTER (E.G., GLUTAMATE) RELEASE FROM ISCHEMIC NEURONAL CELLS; N,N-DISUBSTITUTED GUANIDINES; NEUROLOGICAL CONDITIONS SUCH AS EPILEPSY, NEURODEGENERATIVE CONDITIONS AND/OR NERVE CELL DEATH FROM STROKE OR HEART ATTACK CAMBRIDGE NEUROSCIENCE, INC. 2004-09-07 US disclosed
US-6288123-B1 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCES, INC. 2001-09-11 US disclosed
US-6143791-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-07 US disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed