SCHEMBL6565371

SCHEMBL6565371

CCOC(=O)CNC(=O)CC1CCCN1C(=O)c1ccc(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.34
PTPN11 Q06124 1/20 0.33
ITGB3 P05106 4/20 0.32
ITGA2B P08514 4/20 0.32
DPP4 P27487 3/20 0.32
DPP8 Q6V1X1 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
CTSS P25774 1/20 0.31
HCRTR1 O43613 1/20 0.30

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
SCHEMBL6563779 0.94 KCNK3 (0.38) KCNK3PTPN11ITGB3ITGA2BMEN1
SCHEMBL7676439 0.90 HSD11B1 (0.32) KCNK3PTPN11ITGB3ITGA2BMEN1
SCHEMBL6563364 0.88 ITGB3 (0.36) KCNK3ITGB3ITGA2BDPP4DPP8
SCHEMBL6565417 0.84 PTPN11 (0.36) KCNK3PTPN11HSD11B1DDB1CRBN
SCHEMBL6563725 0.83 GAA (0.33) PTPN11MEN1KMT2ADDB1CRBN
SCHEMBL6561934 0.82 ACACB (0.33) PTPN11ITGB3ITGA2BRAB9ADDB1
SCHEMBL6561984 0.81 MEN1 (0.40) KCNK3ITGB3ITGA2BMEN1RAB9A
SCHEMBL6565533 0.80 ACACB (0.45) PTPN11MEN1RAB9AKMT2AHSD11B1
SCHEMBL6561843 0.80 GAA (0.31) PTPN11ITGB3ITGA2BMEN1KMT2A
SCHEMBL6562329 0.79 F2 (0.37) ITGB3ITGA2BHCRTR1HCRTR2

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