SCHEMBL8438698

SCHEMBL8438698

N#Cc1cccc(Cn2c(=O)n(Cc3cccc(C#N)c3)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
CLPP Q16740 1/20 0.46
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
ROCK2 O75116 3/20 0.44
ADRA1D P25100 1/20 0.44
CFTR P13569 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
IDH1 O75874 1/20 0.43
FEN1 P39748 1/20 0.43
CREBBP Q92793 1/20 0.43
DPP4 P27487 1/20 0.42
PIK3R1 P27986 3/20 0.42
PIK3CA P42336 3/20 0.42
PARG Q86W56 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL8443447 0.83 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2FEN1
SCHEMBL8486671 0.83 ROCK2 (0.49) CCR2L3MBTL1CLPPCYP19A1CYP11B1
SCHEMBL8443463 0.83 CCR2 (0.53) CCR2L3MBTL1CLPPCYP19A1CYP11B1
SCHEMBL7359317 0.82 KLKB1 (0.51) CCR2L3MBTL1CLPPCYP19A1CYP11B1
SCHEMBL8443423 0.81 CFTR (0.52) CCR2L3MBTL1CYP19A1CYP11B1CYP11B2
SCHEMBL28411396 0.79 CLPP (0.53) CCR2L3MBTL1CLPPCYP19A1CYP11B1
SCHEMBL7360802 0.79 C5AR1 (0.50) CCR2ROCK2CFTRGRIN1GRIN2B
SCHEMBL8487078 0.78 ROCK2 (0.46) CCR2L3MBTL1CLPPCYP19A1CYP11B1
SCHEMBL8443442 0.77 CCR2 (0.56) CCR2L3MBTL1CLPPCYP19A1CYP11B1
SCHEMBL8483528 0.77 GLA (0.50) CCR2L3MBTL1CLPPCYP19A1CYP11B1

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 7 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
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-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