SCHEMBL6563647

SCHEMBL6563647

COC(=O)CC(=O)N(c1ccc(C#CCNc2ccc(C(=N)N)cc2)cc1C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 5/20 0.36
F3 P13726 4/20 0.36
F10 P00742 12/20 0.36
F2 P00734 11/20 0.36
PRSS1 P07477 7/20 0.36
MRGPRX1 Q96LB2 1/20 0.35
LTB4R Q15722 1/20 0.34
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
PLG P00747 1/20 0.34
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL6563600 0.91 F7 (0.39) F7F3F10F2PRSS1
SCHEMBL6561947 0.88 F10 (0.36) F7F3F10F2PRSS1
SCHEMBL6564919 0.86 PTPN11 (0.35)
SCHEMBL6563363 0.85 F2 (0.38) F7F3F10F2PRSS1
SCHEMBL6565922 0.83 F7 (0.39) F7F3F10F2ITGB3
SCHEMBL6563127 0.82 F2 (0.37) F7F3F10F2PRSS1
SCHEMBL7799479 0.82 NR1I2 (0.36) F2
SCHEMBL7799478 0.82 MEN1 (0.31)
SCHEMBL6563782 0.81 F2 (0.41) F7F10F2PRSS1ITGB3
SCHEMBL6565187 0.81 F10 (0.34) F7F3F10F2PRSS1

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