SCHEMBL8524852

SCHEMBL8524852

FC(F)(CNc1ncc(Cl)c(CCNCc2n[nH]c3ncc(Cl)cc23)n1)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.37
GPR39 O43194 1/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL8523803 0.91 F2 (0.38) F2GPR39
SCHEMBL8515805 0.83 F2 (0.40) F2GPR39PRSS1PRSS2PRSS3
SCHEMBL8524364 0.81 F2 (0.38) F2PRSS1PRSS2PRSS3
SCHEMBL8519327 0.75 PIK3CA (0.39) F2
SCHEMBL8517902 0.74 F2 (0.40) F2
SCHEMBL8516353 0.69 F2 (0.40) F2PRSS1PRSS2PRSS3
SCHEMBL8292389 0.68 F2 (0.54) F2PRSS1
SCHEMBL5772427 0.63 F2 (0.38) F2PRSS1PRSS2PRSS3
SCHEMBL8292324 0.57 F2 (0.68) F2PRSS1
SCHEMBL7109329 0.56 F2 (0.59) F2

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
EP-1674464-A1 Novel thrombin inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-06-28 EP disclosed