SCHEMBL6565845

SCHEMBL6565845

Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)N1CCCC1COCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.36
PRSS1 P07477 4/20 0.36
ITGB3 P05106 5/20 0.34
ITGA2B P08514 5/20 0.34
F7 P08709 2/20 0.33
F3 P13726 2/20 0.33
HSD11B1 P28845 1/20 0.33
TMPRSS15 P98073 2/20 0.33
PLAU P00749 1/20 0.33
HPN P05981 1/20 0.33
CAMK1D Q8IU85 1/20 0.32
HTR7 P34969 1/20 0.32
F10 P00742 1/20 0.32
ACACB O00763 1/20 0.32
PPARG P37231 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
SCHEMBL6565372 0.92 ITGB3 (0.38) F2PRSS1ITGB3ITGA2BHSD11B1
SCHEMBL6565424 0.89 ITGB3 (0.42) F2PRSS1ITGB3ITGA2BHSD11B1
SCHEMBL6564957 0.88 F2 (0.38) F2PRSS1ITGB3ITGA2BF7
SCHEMBL6562329 0.87 F2 (0.37) F2PRSS1ITGB3ITGA2BF7
SCHEMBL6561984 0.85 MEN1 (0.40) F2PRSS1ITGB3ITGA2BHSD11B1
SCHEMBL6565512 0.84 GAA (0.40) F2PRSS1HSD11B1PLAUHPN
SCHEMBL6565523 0.83 ITGB3 (0.38) F2PRSS1ITGB3ITGA2BHSD11B1
SCHEMBL6563364 0.82 ITGB3 (0.36) F2PRSS1ITGB3ITGA2B
SCHEMBL6565851 0.81 F2 (0.37) F2PRSS1ITGB3ITGA2BF7
SCHEMBL6561958 0.79 ACACB (0.49) F2PRSS1F7F3PLAU

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed