SCHEMBL6563422

SCHEMBL6563422

Cc1cc(C(=O)N(C)c2ccccn2)c(C)cc1CCCNc1ccc(C(=N)N)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.42
F2 P00734 6/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
F10 P00742 3/20 0.42
NQO2 P16083 2/20 0.42
PLG P00747 2/20 0.42
PLAT P00750 2/20 0.42
SLC22A2 O15244 1/20 0.42
PROC P04070 1/20 0.42
HPN P05981 1/20 0.42
SLC47A2 Q86VL8 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42
TMPRSS6 Q8IU80 2/20 0.40
ST14 Q9Y5Y6 2/20 0.40
HCRTR2 O43614 1/20 0.36
PLAU P00749 2/20 0.35
KLK1 P06870 1/20 0.35
KLK5 Q9Y337 1/20 0.35

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
SCHEMBL7668378 0.86 PLAU (0.49) PRSS1F2PRSS2PRSS3F10
SCHEMBL6561967 0.80 F2 (0.42) PRSS1F2PRSS2PRSS3F10
SCHEMBL6563528 0.77 PRSS1 (0.51) PRSS1F2PRSS2PRSS3F10
SCHEMBL6563814 0.76 PLAU (0.54) PRSS1F2PRSS2PRSS3F10
SCHEMBL6563517 0.75 F2 (0.45) PRSS1F2PRSS2PRSS3F10
SCHEMBL6762415 0.73 NOTUM (0.40) PRSS1F2PRSS2PRSS3F10
SCHEMBL6565328 0.72 PRSS1 (0.46) PRSS1F2PRSS2PRSS3F10
SCHEMBL6561828 0.72 MLYCD (0.44) PRSS1F2PRSS2PRSS3F10
SCHEMBL6565295 0.71 PPARG (0.36) PRSS1F2PRSS2PRSS3F10
SCHEMBL7672235 0.71 PLAU (0.49) F2F10PLAU

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 claimed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US claimed
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