SCHEMBL7360494

SCHEMBL7360494

CCCCN(Cc1cccc(C(=N)N)c1)C(=O)NCc1cccc(C(=N)N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.55
GRIN3B O60391 3/20 0.55
GRIN1 Q05586 3/20 0.55
GRIN2A Q12879 3/20 0.55
GRIN2B Q13224 3/20 0.55
GRIN2C Q14957 3/20 0.55
GRIN3A Q8TCU5 3/20 0.55
F10 P00742 11/20 0.44
F2 P00734 7/20 0.44
F7 P08709 1/20 0.44
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
SPHK2 Q9NRA0 1/20 0.42

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
SCHEMBL7083982 0.84 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7090135 0.81 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7083226 0.77 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7099650 0.75 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL18069355 0.75 F10 (0.56) F10F2F7HDAC1HDAC6
SCHEMBL7096833 0.75 F10 (0.59) F10F2F7PRSS1PRSS2
SCHEMBL23316624 0.74 PRSS1 (0.59) F10F2LOXL2PRSS1PRSS2
SCHEMBL27589111 0.74 F10 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7090549 0.74 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20489830 0.73 PRSS1 (0.58) F10F2LOXL2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5863914-A ADMINISTERING TO HUMAN N,N-DIMETHYLBENZENE OR N,N-DIMETHYLNAPHTHALENE-CYCLIC UREA DERIVATIVE TO TREAT A DISEASE-STATE CAUSED BY INHIBITION OF FACTOR XA MOHAN RAJU (US) 1999-01-26 US disclosed
US-5859005-A INHIBITORS OF THROMBIN AND FACTOR XA BERLEX LABORATORIES, INC. (US) 1999-01-12 US disclosed
EP-0848708-A1 N,N-DI(ARYLMETHYL)CYCLIC UREA DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1998-06-24 EP disclosed
US-5731308-A N,N-di(aryl) cyclic urea derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-03-24 US disclosed
US-5731311-A N,N-di(aryl) cyclic urea derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-03-24 US disclosed
US-5728697-A INHIBITORS OF FACTOR X BERLEX LABORATORIES, INC. (US) 1998-03-17 US disclosed
US-5726173-A ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1998-03-10 US disclosed
US-5726198-A FOR INHIBITING COAGULATION ENZYMES BERLEX LABORATORIES, INC. (US) 1998-03-10 US disclosed
US-5612363-A FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. (US) 1997-03-18 US disclosed
WO-1996038421-A1 N,N-DI(ARYLMETHYL)CYCLIC UREA DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1996-12-05 WO disclosed