SCHEMBL6563255

SCHEMBL6563255

Cc1cccc(C#CCNc2ccc(C(=N)N)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.44
F2 P00734 6/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
TMPRSS6 Q8IU80 2/20 0.43
ST14 Q9Y5Y6 2/20 0.43
F10 P00742 4/20 0.42
PLAU P00749 3/20 0.42
PLAT P00750 3/20 0.42
PLG P00747 2/20 0.42
KLK1 P06870 2/20 0.40
KLK5 Q9Y337 2/20 0.40
ASIC3 Q9UHC3 1/20 0.39
MRGPRX1 Q96LB2 2/20 0.38
F7 P08709 1/20 0.38

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
SCHEMBL6563461 0.83 PRSS1 (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7673744 0.81 ASIC3 (0.40) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL29712645 0.80 GRM5 (0.53)
SCHEMBL7670899 0.78 PRSS1 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563225 0.78 IDO1 (0.44)
SCHEMBL6563277 0.77 F2 (0.41) PRSS1F2F10PLAUPLAT
SCHEMBL6561827 0.75 MRGPRX1 (0.51) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563625 0.75 PRSS1 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7669552 0.75 HPN (0.45) PRSS1PLAU
SCHEMBL6562437 0.75 KLK5 (0.47) F10KLK1KLK5

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