SCHEMBL8501675

SCHEMBL8501675

Clc1cccc(CCNCCc2nc(NCCC3CCCCN3)ncc2Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.51
F10 P00742 3/20 0.51
PLAT P00750 2/20 0.51
PRSS1 P07477 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
IGF1R P08069 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
CDK9 P50750 1/20 0.39
NOS1 P29475 3/20 0.37

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
SCHEMBL8501786 0.95 F2 (0.49) F2F10PLATPRSS1PRSS2
SCHEMBL5772427 0.81 F2 (0.38) F2F10PLATPRSS1PRSS2
SCHEMBL8292318 0.75 F2 (0.51) F2F10PLATPRSS1PRSS2
SCHEMBL8292311 0.74 F2 (0.59) F2F10PLATPRSS1PRSS2
SCHEMBL14534430 0.72 F2 (0.48) F2F10PLATPRSS1PRSS2
SCHEMBL6990304 0.69 POLB (0.66) F2F10PLATPRSS1PRSS2
SCHEMBL29813025 0.69 POLB (0.66) F2F10PLATPRSS1PRSS2
SCHEMBL20828207 0.69 POLB (0.66) F2F10PLATPRSS1PRSS2
SCHEMBL8293315 0.69 F2 (0.53) F2F10PLATPRSS1PRSS2
SCHEMBL11478700 0.68 POLB (0.64) F2F10PLATPRSS1PRSS2

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