SCHEMBL7909451

SCHEMBL7909451

O=C(O)CCNC(=O)c1cccc(NC(=O)CN2CCNCC2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.53
ITGA2 P17301 3/20 0.53
ITGA2B P08514 7/20 0.47
GAA P10253 1/20 0.45
HTT P42858 1/20 0.43
EPHX2 P34913 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
CHRM3 P20309 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL8382626 0.94 EPHX2 (0.48) ITGB3ITGA2ITGA2BGAAHTT
SCHEMBL7909444 0.90 HTT (0.45) ITGB3ITGA2GAAHTTEPHX2
SCHEMBL7907914 0.90 GAA (0.45) ITGB3ITGA2GAAHTTEPHX2
SCHEMBL7913422 0.85 HTT (0.53) HTTSMN1; SMN2KMT2A
SCHEMBL7909438 0.85 ITGB3 (0.54) ITGB3ITGA2ITGA2BGAAEPHX2
SCHEMBL7909731 0.83 ITGB3 (0.43) ITGB3ITGA2ITGA2BHTTSMN1; SMN2
SCHEMBL7909440 0.80 ITGB3 (0.54) ITGB3ITGA2ITGA2BGAAEPHX2
SCHEMBL7906619 0.79 ITGB3 (0.47) ITGB3ITGA2ITGA2BGAAHTT
SCHEMBL7909741 0.79 F10 (0.41) ITGB3ITGA2ITGA2BHTT
SCHEMBL7909845 0.78 ITGB3 (0.56) ITGB3ITGA2ITGA2BGAAHTT

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