SCHEMBL6280175

SCHEMBL6280175

N#Cc1cccc(C2Cc3ccccc3N(CCCCCBr)C2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.37
DRD3 P35462 8/20 0.37
DRD2 P14416 7/20 0.37
F10 P00742 3/20 0.35
PRSS1 P07477 3/20 0.35
F2 P00734 2/20 0.35
PLG P00747 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP1 P29466 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTR1A P08908 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NAMPT P43490 1/20 0.35
DRD4 P21917 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL6275831 0.85 F10 (0.52) F10PRSS1F2PLG
SCHEMBL6282874 0.79 HTR6 (0.39) DRD3DRD2KCNH2DRD4
SCHEMBL7124559 0.78 F10 (0.56) F10PRSS1F2PLG
SCHEMBL7118194 0.78 HDAC3 (0.40) DRD3DRD2F10PRSS1CYP2D6
SCHEMBL6281661 0.76 CACNA1S (0.53) HTR7DRD3DRD2F10DRD4
SCHEMBL6281910 0.71 HTR7 (0.53) HTR7DRD3DRD2F10PRSS1
SCHEMBL6281882 0.71 F10 (0.70) HTR7DRD3F10PRSS1F2
SCHEMBL6295248 0.70 F10 (0.54) HTR7F10PRSS1F2PLG
SCHEMBL6284916 0.70 F10 (0.59) F10PRSS1F2PLG
SCHEMBL6283170 0.69 F10 (0.72) HTR7F10PRSS1F2PLG

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 3 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 disclosed
EP-1091955-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-04-18 EP disclosed
WO-1999050263-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO disclosed