SCHEMBL7364863

SCHEMBL7364863

N=C(N)c1cccc(N(CCCC(=O)O)CCc2ccc(N)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.50
PRSS1 P07477 11/20 0.50
PRSS2 P07478 10/20 0.50
PRSS3 P35030 10/20 0.50
F10 P00742 6/20 0.45
F7 P08709 3/20 0.45
PLG P00747 2/20 0.45
PLAT P00750 2/20 0.45
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
GABRA1 P14867 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
PMP22 Q01453 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
SCHEMBL7360775 0.93 F2 (0.53) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7454841 0.85 F2 (0.60) F2PRSS1PRSS2PRSS3F10
SCHEMBL7363749 0.81 F2 (0.59) F2PRSS1PRSS2PRSS3F10
SCHEMBL7362467 0.81 FFAR1 (0.53) GMNNALDH1A1LMNACYP2D6MAPT
Hydrochloric Acid SCHEMBL7362150 0.79 F2 (0.57) F2PRSS1PRSS2PRSS3F10
SCHEMBL7365871 0.79 F2 (0.69) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7450712 0.79 F2 (0.67) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7459282 0.79 F2 (0.62) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7463140 0.79 F2 (0.72) F2PRSS1PRSS2PRSS3F10
SCHEMBL7364865 0.78 SMN1; SMN2 (0.39) F2PRSS1PRSS2PRSS3GMNN

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