SCHEMBL6561891

SCHEMBL6561891

CCOC(=O)CNC(=O)N(c1ccc(C#CCNc2ccc(C(=N)N)cc2)c(C)c1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
F2 P00734 8/20 0.36
F10 P00742 8/20 0.36
PRSS1 P07477 3/20 0.36
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F7 P08709 2/20 0.33
PRSS2 P07478 1/20 0.33
F3 P13726 1/20 0.33
PRSS3 P35030 1/20 0.33
POLB P06746 1/20 0.32
NQO2 P16083 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
SCHEMBL6565366 0.90 F7 (0.36) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6565989 0.90 ITGB3 (0.36) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7670888 0.88 F2 (0.38) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563636 0.87 MAPT (0.31) MAPTSMN1; SMN2
SCHEMBL6565394 0.86 F2 (0.36) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563515 0.85 F2 (0.36) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563363 0.83 F2 (0.38) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563553 0.83 F7 (0.36) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563063 0.82 ITGB3 (0.34) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6565440 0.82 F7 (0.36) ITGB3ITGA2BF2F10PRSS1

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