SCHEMBL7909493

SCHEMBL7909493

O=C(CNC(=O)N1CCN(C(=O)OCc2ccccc2)CC1)Nc1cccc(C(=O)NCCC(=O)OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
TGM3 Q08188 1/20 0.44
ST14 Q9Y5Y6 2/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
SENP1 Q9P0U3 1/20 0.42
GAA P10253 1/20 0.41
NAMPT P43490 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
FLT3 P36888 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
EPHX2 P34913 1/20 0.40
MEN1 O00255 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
SCHEMBL7900109 0.92 MAPT (0.49) F13A1TGM2TGM1TGM3ST14
SCHEMBL8382214 0.89 F13A1 (0.47) F13A1TGM2TGM1TGM3ST14
SCHEMBL8381979 0.87 MAPT (0.48) F13A1TGM2TGM1TGM3NAMPT
SCHEMBL8381166 0.87 F13A1 (0.49) F13A1TGM2TGM1TGM3ST14
SCHEMBL9339092 0.84 HTT (0.46) F13A1TGM2TGM1TGM3ST14
SCHEMBL8385674 0.84 GLA (0.52) F13A1TGM2TGM1TGM3RAB9A
SCHEMBL7906634 0.83 MEN1 (0.49) NAMPTRAB9AMAPTEPHX2MEN1
SCHEMBL7909711 0.83 ST14 (0.40) F13A1TGM2TGM1TGM3ST14
SCHEMBL7907921 0.82 ST14 (0.46) F13A1TGM2TGM1TGM3ST14
Hydrochloric Acid SCHEMBL7909852 0.81 POLB (0.51) GAANAMPTRAB9AMAPTEPHX2

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