SCHEMBL8367165

SCHEMBL8367165

Cc1ccc(NCCc2ccccc2)c(=O)n1CC(N)=O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.63
PRSS1 P07477 9/20 0.63
CASP1 P29466 1/20 0.46

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
SCHEMBL4420702 0.90 F2 (0.62) F2PRSS1CASP1
SCHEMBL4422918 0.82 F2 (0.56) F2PRSS1CASP1
SCHEMBL29904377 0.81 F2 (0.44) F2PRSS1
SCHEMBL31742245 0.80 F2 (0.70) F2PRSS1
SCHEMBL14145604 0.79 F2 (0.59) F2PRSS1
SCHEMBL6086840 0.79 F2 (0.46) F2PRSS1
SCHEMBL8366434 0.78 F2 (0.74) F2PRSS1
Acetic Acid SCHEMBL31742242 0.78 F2 (0.67) F2PRSS1
SCHEMBL948489 0.72 CASP1 (0.70) F2PRSS1CASP1
SCHEMBL11711490 0.72 HPGD (0.46)

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
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed