SCHEMBL7363757

SCHEMBL7363757

N#Cc1cccc(C(N)Cc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.51
KCNH2 Q12809 2/20 0.51
LOXL2 Q9Y4K0 1/20 0.43
CNR1 P21554 12/20 0.42
CNR2 P34972 7/20 0.42
VCAM1 P19320 1/20 0.40
DPP4 P27487 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
FAP Q12884 1/20 0.38
FBP1 P09467 1/20 0.38
P4HB P07237 1/20 0.38

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
SCHEMBL7363755 0.87 KCNJ1 (0.54) KCNJ1KCNH2LOXL2VCAM1DPP4
SCHEMBL7364292 0.85 KCNH2 (0.53) KCNJ1KCNH2LOXL2VCAM1P4HB
SCHEMBL7359666 0.83 LOXL2 (0.47) LOXL2CNR1CNR2
SCHEMBL17266185 0.81 SLC6A2 (0.49) CNR1CNR2
SCHEMBL6331351 0.81 SLC6A2 (0.49) CNR1CNR2
SCHEMBL7364288 0.76 KCNJ1 (0.56) KCNJ1KCNH2LOXL2VCAM1FBP1
SCHEMBL7360304 0.75 KCNJ1 (0.41) KCNJ1KCNH2VCAM1FBP1P4HB
SCHEMBL7364388 0.72 SLC6A2 (0.56) CNR1DPP4DPP7DPP8DPP9
SCHEMBL4749300 0.71 LOXL2 (0.43) LOXL2
SCHEMBL29013128 0.71 GRM4 (0.44) LOXL2

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