SCHEMBL7907914

SCHEMBL7907914

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
ITGB3 P05106 1/20 0.42
ITGA2 P17301 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM3 P20309 1/20 0.40
HTT P42858 1/20 0.39
MAPK10 P53779 1/20 0.39
EPHX2 P34913 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7909451 0.90 ITGB3 (0.53) GAAITGB3ITGA2KMT2ASMN1; SMN2
SCHEMBL8382626 0.86 EPHX2 (0.48) GAAITGB3ITGA2KMT2ASMN1; SMN2
SCHEMBL7909444 0.84 HTT (0.45) GAAITGB3ITGA2ALDH1A1KMT2A
SCHEMBL7913422 0.81 HTT (0.53) ALDH1A1KMT2ASMN1; SMN2MEN1HSD17B10
SCHEMBL7913438 0.80 GAA (0.43) GAAITGB3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7909731 0.77 ITGB3 (0.43) ITGB3ITGA2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8384345 0.76 ITGB3 (0.40) GAAITGB3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7913440 0.75 ALDH1A1 (0.49) GAAALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL7909741 0.75 F10 (0.41) ITGB3ITGA2ALDH1A1HTTLMNA
SCHEMBL7909438 0.74 ITGB3 (0.54) GAAITGB3ITGA2ALDH1A1KMT2A

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