SCHEMBL6565190

SCHEMBL6565190

COC(=O)C(OC)C(=O)N(c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.33
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
F10 P00742 7/20 0.32
PRSS1 P07477 6/20 0.32
F2 P00734 6/20 0.32
PLAU P00749 3/20 0.32
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
KLK1 P06870 1/20 0.31
KLK5 Q9Y337 1/20 0.31
HPN P05981 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31

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
SCHEMBL6562071 0.94 F10 (0.34) MRGPRX1ITGB3ITGA2BF10PRSS1
SCHEMBL6563915 0.88 ITGB3 (0.35) ITGB3ITGA2BF10PRSS1F2
SCHEMBL6561947 0.87 F10 (0.36) MRGPRX1ITGB3ITGA2BF10PRSS1
SCHEMBL6563320 0.86 AAK1 (0.30)
SCHEMBL6562499 0.85 ITGB3 (0.34) ITGB3ITGA2BF10PRSS1F2
SCHEMBL6565274 0.85 ITGB3 (0.39) ITGB3ITGA2BF10PRSS1F2
SCHEMBL4250003 0.84 ITGB3 (0.37) ITGB3ITGA2BF10PRSS1F2
SCHEMBL6563086 0.84 F2 (0.39) MRGPRX1ITGB3ITGA2BF10PRSS1
SCHEMBL6563578 0.84 ITGB3 (0.37) ITGB3ITGA2BPRSS1F2PLAU
SCHEMBL6563357 0.84 ITGB3 (0.36) ITGB3ITGA2BF10PRSS1F2

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