SCHEMBL7909440

SCHEMBL7909440

O=C(O)CCNC(=O)c1cccc(NC(=O)CCN2CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.54
ITGA2 P17301 1/20 0.54
ITGA2B P08514 1/20 0.53
EPHX2 P34913 3/20 0.52
GAA P10253 1/20 0.51
CHRM3 P20309 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 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
SCHEMBL8381170 0.90 CHRM3 (0.49) EPHX2CHRM3SMN1; SMN2ALDH1A1POLB
SCHEMBL7909438 0.90 ITGB3 (0.54) ITGB3ITGA2ITGA2BEPHX2GAA
SCHEMBL7909446 0.84 SMN1; SMN2 (0.49) ITGB3ITGA2ITGA2BEPHX2GAA
SCHEMBL7909845 0.84 ITGB3 (0.56) ITGB3ITGA2ITGA2BEPHX2GAA
SCHEMBL7900157 0.83 ITGB3 (0.51) ITGB3ITGA2ITGA2BEPHX2GAA
Hydrochloric Acid SCHEMBL7909753 0.83 POLB (0.57) ITGB3ITGA2ITGA2BEPHX2GAA
SCHEMBL9335419 0.81 ITGB3 (0.74) ITGB3ITGA2ITGA2BEPHX2GAA
SCHEMBL7909451 0.80 ITGB3 (0.53) ITGB3ITGA2ITGA2BEPHX2GAA
SCHEMBL7909796 0.79 ITGB3 (0.51) ITGB3ITGA2ITGA2BEPHX2GAA
SCHEMBL9335793 0.79 GAA (0.62) ITGB3ITGA2ITGA2BEPHX2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0608759-B1 Piperazine derivatives MERCK PATENT GMBH (DE) 2001-08-22 EP disclosed
CN-1056141-C Piperazine derivatives MERCK PATENT GESELLSCHAFTR MIT (DE) 2000-09-06 CN disclosed
US-5908843-A Piperazine compounds as fibrinogen inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-06-01 US disclosed
CN-1099759-A Piperazine derivatives MERCK PATENT GMBH (DE) 1995-03-08 CN disclosed
EP-0608759-A2 Piperazinderivatives MERCK PATENT GmbH (DE) 1994-08-03 EP disclosed