SCHEMBL7673744

SCHEMBL7673744

CN(c1ccccc1)c1cccc(C#CCNc2ccc(C(=N)N)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.40
PLAU P00749 1/20 0.39
PRSS1 P07477 9/20 0.39
F2 P00734 5/20 0.39
MRGPRX1 Q96LB2 2/20 0.39
F10 P00742 1/20 0.39
F7 P08709 1/20 0.39
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
TMPRSS6 Q8IU80 2/20 0.38
ST14 Q9Y5Y6 2/20 0.38
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
SCHEMBL6565292 0.81 KCNA5 (0.39)
SCHEMBL6563255 0.81 PRSS1 (0.44) ASIC3PLAUPRSS1F2MRGPRX1
SCHEMBL6561886 0.80 PLAU (0.53) PLAUF2MRGPRX1
SCHEMBL6563677 0.79 MRGPRX1 (0.43) PRSS1F2MRGPRX1F10F7
SCHEMBL6561827 0.75 MRGPRX1 (0.51) ASIC3PRSS1F2MRGPRX1F10
SCHEMBL6563625 0.75 PRSS1 (0.43) ASIC3PRSS1F2MRGPRX1F10
SCHEMBL6563277 0.73 F2 (0.41) ASIC3PLAUPRSS1F2MRGPRX1
SCHEMBL6563734 0.73 LTB4R2 (0.45) F2MRGPRX1
SCHEMBL6563250 0.73 PLAU (0.54) PLAUPRSS1F2F10PRSS2
SCHEMBL6565690 0.73 PLAU (0.54) PLAUPRSS1F2F10PRSS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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