SCHEMBL6281882

SCHEMBL6281882

N=C(N)c1cccc(C2Cc3ccccc3N(CCCCCN3CCCCC3)C2=O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.70
PRSS1 P07477 10/20 0.70
F2 P00734 9/20 0.70
PLG P00747 5/20 0.70
PROC P04070 1/20 0.51
HTR7 P34969 4/20 0.41
HTR1A P08908 3/20 0.41
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL6283170 0.91 F10 (0.72) F10PRSS1F2PLGPROC
SCHEMBL6279956 0.88 F10 (0.55) F10PRSS1F2PLGPROC
SCHEMBL6295248 0.87 F10 (0.54) F10PRSS1F2PLGPROC
SCHEMBL6281579 0.85 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL6283268 0.85 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL6278829 0.85 F10 (0.52) F10PRSS1F2PLGPROC
SCHEMBL6277852 0.84 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL6281910 0.84 HTR7 (0.53) F10PRSS1F2PLGHTR7
SCHEMBL6275362 0.83 F10 (0.51) F10PRSS1F2PLGPROC
SCHEMBL7116028 0.82 F10 (1.00) F10PRSS1F2PLGPROC

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
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US claimed
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US disclosed