SCHEMBL7900157

SCHEMBL7900157

O=C(O)CCNC(=O)c1cccc(NC(=O)CNC(=O)N2CCNCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.51
ITGA2B P08514 5/20 0.51
ITGA2 P17301 2/20 0.50
GAA P10253 1/20 0.47
POLB P06746 1/20 0.44
NAMPT P43490 1/20 0.44
CCNC P24863 2/20 0.44
CDK8 P49336 2/20 0.44
EPHX2 P34913 3/20 0.43
CHRM3 P20309 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.40

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
SCHEMBL8382617 0.91 NAMPT (0.49) POLBNAMPTCCNCCDK8EPHX2
SCHEMBL7909845 0.91 ITGB3 (0.56) ITGB3ITGA2BITGA2GAAPOLB
Hydrochloric Acid SCHEMBL7909753 0.89 POLB (0.57) ITGB3ITGA2BITGA2GAAPOLB
SCHEMBL7907928 0.86 GAA (0.45) ITGB3ITGA2BITGA2GAANAMPT
SCHEMBL8386146 0.86 POLB (0.51) POLBCCNCCDK8EPHX2HTT
SCHEMBL8386242 0.84 EPHX2 (0.54) ITGB3ITGA2BITGA2POLBNAMPT
SCHEMBL7909438 0.84 ITGB3 (0.54) ITGB3ITGA2BITGA2GAAPOLB
SCHEMBL8381985 0.84 HTT (0.45) POLBNAMPTCCNCCDK8CHRM3
SCHEMBL7909440 0.83 ITGB3 (0.54) ITGB3ITGA2BITGA2GAAPOLB
SCHEMBL8385665 0.82 POLB (0.58) POLBNAMPTCCNCCDK8EPHX2

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
EP-0608759-B1 Piperazine derivatives MERCK PATENT GMBH (DE) 2001-08-22 EP disclosed
US-5908843-A Piperazine compounds as fibrinogen inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-06-01 US disclosed
EP-0608759-A2 Piperazinderivatives MERCK PATENT GmbH (DE) 1994-08-03 EP disclosed