SCHEMBL7359657

SCHEMBL7359657

N#Cc1ccc(C(N)Cc2cccc(C#N)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
GLA P06280 1/20 0.44
FOLH1 Q04609 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
DPP7 Q9UHL4 3/20 0.43
DPP4 P27487 2/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
EPHX1 P07099 1/20 0.40
AKT1 P31749 1/20 0.40
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7364388 0.90 SLC6A2 (0.56) SLC6A2SLC6A4GLAFOLH1DPP7
SCHEMBL4749835 0.89 FOLH1 (0.44) SLC6A2SLC6A4GLAFOLH1DPP7
SCHEMBL17253753 0.85 MAOB (0.47) SLC6A2SLC6A4LOXL2EPHX1CYP19A1
SCHEMBL7359666 0.84 LOXL2 (0.47) LOXL2FFAR1
SCHEMBL7363755 0.83 KCNJ1 (0.54) SLC6A2SLC6A4GLAFOLH1LOXL2
SCHEMBL6331351 0.81 SLC6A2 (0.49) SLC6A2SLC6A4EPHX1
SCHEMBL17266185 0.81 SLC6A2 (0.49) SLC6A2SLC6A4EPHX1
SCHEMBL4496028 0.80 GLA (0.57) SLC6A2SLC6A4GLAFOLH1DPP7
SCHEMBL5262783 0.80 GLA (0.57) SLC6A2SLC6A4GLAFOLH1DPP7
SCHEMBL10606037 0.78 FOLH1 (0.50) SLC6A2SLC6A4GLAFOLH1DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed