SCHEMBL7669679

SCHEMBL7669679

CC1CCCN1C(=O)c1ccc(C#CCNc2ccc(C(=N)N)cc2)cc1CN(C)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
NAMPT P43490 2/20 0.35
HSD11B1 P28845 1/20 0.35
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL7671224 0.90 PRSS1 (0.35) F2F10PRSS1NAMPTHSD11B1
SCHEMBL6563261 0.88 HSD11B1 (0.38) F2F10PRSS1NAMPTHSD11B1
SCHEMBL6565512 0.86 GAA (0.40) F2F10PRSS1NAMPTHSD11B1
SCHEMBL6561970 0.81 GAA (0.49) F2NAMPTHSD11B1GAAHPGD
SCHEMBL6561930 0.81 MEN1 (0.39) NAMPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL6561843 0.79 GAA (0.31) NAMPTHSD11B1ITGB3ITGA2BGAA
SCHEMBL6565424 0.78 ITGB3 (0.42) F2PRSS1HSD11B1ITGB3ITGA2B
SCHEMBL6564299 0.77 GAA (0.36) F2F10PRSS1NAMPTHSD11B1
SCHEMBL6563410 0.77 GAA (0.40) F2F10PRSS1NAMPTHSD11B1
SCHEMBL6564957 0.77 F2 (0.38) F2F10PRSS1HSD11B1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed