SCHEMBL6563655

SCHEMBL6563655

CCOC(=O)CNCC(=O)N(c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.38
F10 P00742 11/20 0.38
PRSS1 P07477 4/20 0.38
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
F7 P08709 2/20 0.33
PRSS2 P07478 1/20 0.33
F3 P13726 1/20 0.33
PRSS3 P35030 1/20 0.33
NQO2 P16083 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 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
SCHEMBL6563300 0.91 ITGB3 (0.37) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7670888 0.90 F2 (0.38) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6563607 0.90 ITGB3 (0.40) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6561947 0.88 F10 (0.36) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6563357 0.86 ITGB3 (0.36) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6562499 0.86 ITGB3 (0.34) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6565274 0.85 ITGB3 (0.39) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6561873 0.85 ITGB3 (0.38) F2F10PRSS1ITGB3ITGA2B
SCHEMBL4250003 0.85 ITGB3 (0.37) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6563542 0.85 ITGB3 (0.37) F2F10PRSS1ITGB3ITGA2B

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