SCHEMBL7316315

SCHEMBL7316315

O=C(Nc1ccncc1)c1ccc(OCC2CCCCC2)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.55
SGMS2 Q8NHU3 3/20 0.50
GAA P10253 1/20 0.47
LRRK2 Q5S007 2/20 0.47

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
SCHEMBL7316318 0.89 SGMS2 (0.54) SGMS2GAA
SCHEMBL7317868 0.82 PARP10 (0.57) METSGMS2
SCHEMBL7318748 0.80 F2 (0.51) GAA
SCHEMBL20290510 0.78 LRRK2 (0.69) SGMS2GAALRRK2
SCHEMBL7907804 0.78 PARP10 (0.54) SGMS2
SCHEMBL1554184 0.77 SGMS2 (0.58) METSGMS2GAALRRK2
SCHEMBL5968109 0.77 SGMS2 (0.55) METSGMS2
SCHEMBL7911253 0.77 PARP10 (0.56) SGMS2
SCHEMBL7349001 0.76 SLC2A1 (0.55)
Hydrochloric Acid SCHEMBL6557646 0.76 SGMS2 (0.56) METSGMS2GAALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927035-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-11-13 EP disclosed
EP-0927035-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-07-07 EP disclosed
US-5872138-A INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, INHIBITING THROMBUS FORMATION, AND INHIBITING EMBOLUS FORMATION IN A MAMMAL MERCK & CO., INC. (US) 1999-02-16 US disclosed
WO-1998010763-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1998-03-19 WO disclosed