SCHEMBL7900109

SCHEMBL7900109

O=C(CCNC(=O)c1cccc(NC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
TGM3 Q08188 1/20 0.47
FOLH1 Q04609 1/20 0.47
FAAH O00519 3/20 0.46
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.43
NAMPT P43490 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43

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
SCHEMBL8381979 0.95 MAPT (0.48) MAPTF13A1TGM2TGM1TGM3
SCHEMBL7909493 0.92 F13A1 (0.44) MAPTF13A1TGM2TGM1TGM3
SCHEMBL7906634 0.91 MEN1 (0.49) MAPTFAAHRAB9AKDM4EEPHX2
SCHEMBL8385674 0.90 GLA (0.52) MAPTF13A1TGM2TGM1TGM3
Hydrochloric Acid SCHEMBL7909852 0.89 POLB (0.51) MAPTFAAHRAB9APOLBKDM4E
SCHEMBL7906639 0.87 MGLL (0.42) MAPTFAAHRAB9APOLBKDM4E
SCHEMBL7907921 0.86 ST14 (0.46) F13A1TGM2TGM1TGM3FOLH1
SCHEMBL9415338 0.85 ST14 (0.42) F13A1TGM2TGM1TGM3FOLH1
SCHEMBL9339092 0.85 HTT (0.46) MAPTF13A1TGM2TGM1TGM3
SCHEMBL8380994 0.85 MAPT (0.58) MAPTF13A1TGM2TGM1TGM3

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