SCHEMBL6565376

SCHEMBL6565376

CCOC(=O)C(OC)C1CCCN1C(=O)c1ccc(C#CCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.35
PRSS2 P07478 4/20 0.35
PRSS3 P35030 4/20 0.35
PLG P00747 2/20 0.35
ST14 Q9Y5Y6 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
F2 P00734 7/20 0.34
F10 P00742 5/20 0.34
F7 P08709 4/20 0.34
F3 P13726 4/20 0.34
ALDH1A1 P00352 2/20 0.34
ITGB3 P05106 4/20 0.33
ITGA2B P08514 4/20 0.33
ACACB O00763 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PLAU P00749 2/20 0.32
PLAT P00750 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
SCHEMBL6565851 0.92 F2 (0.37) PRSS1PRSS2PRSS3PLGST14
SCHEMBL6563725 0.88 GAA (0.33) SMN1; SMN2GAAALDH1A1ACACBKMT2A
SCHEMBL7808388 0.86 NR1I2 (0.32) SMN1; SMN2GAAF2ALDH1A1ITGB3
SCHEMBL6561984 0.83 MEN1 (0.40) PRSS1PRSS2PRSS3PLGST14
SCHEMBL6565512 0.83 GAA (0.40) PRSS1GAAF2F10ALDH1A1
SCHEMBL6565523 0.82 ITGB3 (0.38) PRSS1PRSS2PRSS3PLGST14
SCHEMBL6565372 0.81 ITGB3 (0.38) PRSS1PRSS2PRSS3PLGST14
SCHEMBL6565424 0.80 ITGB3 (0.42) PRSS1F2ITGB3ITGA2B
SCHEMBL6563364 0.80 ITGB3 (0.36) PRSS1PRSS2PRSS3PLGST14
SCHEMBL6564957 0.79 F2 (0.38) PRSS1F2F10F7F3

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 4 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
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed