SCHEMBL5772427

SCHEMBL5772427

Clc1ccc2[nH]nc(CNCCc3nc(NCCC4CCCCN4)ncc3Cl)c2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.38
F10 P00742 3/20 0.38
PLAT P00750 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
CCR4 P51679 6/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
AURKB Q96GD4 1/20 0.33
MCHR1 Q99705 1/20 0.33
IGF1R P08069 2/20 0.33
CHEK1 O14757 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
SCHEMBL8516353 0.84 F2 (0.40) F2F10PLATPRSS1PRSS2
SCHEMBL8262579 0.84 F2 (0.40) F2F10PLATPRSS1PRSS2
SCHEMBL8501786 0.82 F2 (0.49) F2F10PLATPRSS1PRSS2
SCHEMBL8501675 0.81 F2 (0.51) F2F10PLATPRSS1PRSS2
SCHEMBL5774380 0.78 ALDH1A1 (0.39) CHEK1
SCHEMBL8519327 0.77 PIK3CA (0.39) F2CYP1A2CYP2D6IGF1R
SCHEMBL5475231 0.77 F2 (0.51) F2F10PLATPRSS1PRSS2
SCHEMBL8293011 0.76 F2 (0.59) F2F10PLATPRSS1PRSS2
SCHEMBL8292314 0.76 F2 (0.59) F2F10PLATPRSS1PRSS2
SCHEMBL8292315 0.73 F2 (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006066899-A1 NOVEL THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2006-06-29 WO disclosed
EP-1674464-A1 Novel thrombin inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-06-28 EP disclosed
EP-1674464-A1 Novel thrombin inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-06-28 EP disclosed