SCHEMBL7635935

SCHEMBL7635935

NC(N)=NCc1ccc(N)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.54
GRIN2B Q13224 5/20 0.54
GRIN2D O15399 4/20 0.54
GRIN3B O60391 4/20 0.54
GRIN2A Q12879 4/20 0.54
GRIN2C Q14957 4/20 0.54
GRIN3A Q8TCU5 4/20 0.54
F11 P03951 1/20 0.49
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
TAAR1 Q96RJ0 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
MAOA P21397 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL1737052 0.90 GRIN1 (0.62) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
Sulfuric Acid SCHEMBL10891220 0.90 LMNA (0.54) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4094076 0.81 GRIN2D (0.54) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL17351900 0.79 GRIN2B (0.52) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4097844 0.79 GRIN2D (0.52) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL9667523 0.79 TAAR1 (0.71) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL8399381 0.79 F11 (0.47) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL45769 0.78 GRIN2B (0.68) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL6679015 0.77 HTR3A (0.68) GRIN1GRIN2BHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL19520756 0.77 GRIN2D (0.55) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399658-B1 REDUCING DRUG SIDE EFFECT SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2002-06-04 US disclosed
EP-1004304-A1 COMPOSITION CONTAINING ASCORBIC ACID SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-05-31 EP disclosed
WO-1999052861-A1 NOVEL BENZYL GUANIDINE DERIVATIVES FOR THERAPY AND IN-VIVO AND IN-VITRO DIAGNOSIS Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 1999-10-21 WO disclosed
US-4622217-A I-4-amino-3-iodobenzylguanidine as imaging and therapeutic agent THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1986-11-11 US disclosed
US-4622217-A I-4-amino-3-iodobenzylguanidine as imaging and therapeutic agent THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1986-11-11 US disclosed