SCHEMBL7530376

SCHEMBL7530376

N=C(N)NCCCC(N)C(=O)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
MASP2 O00187 1/20 0.45
F2 P00734 1/20 0.45
EPHX2 P34913 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
NPY4R P50391 3/20 0.44
NPY1R P25929 2/20 0.44
NPY2R P49146 2/20 0.44
NPY5R Q15761 2/20 0.44
MMP8 P22894 1/20 0.44
EGFR P00533 2/20 0.44
SRC P12931 1/20 0.44
SLC1A1 P43005 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
SCHEMBL7416564 1.00 MMP2 (0.48) MMP2L3MBTL1MASP2F2EPHX2
SCHEMBL7530381 1.00 MMP2 (0.48) MMP2L3MBTL1MASP2F2EPHX2
SCHEMBL27118430 0.96 MMP2 (0.50) MMP2L3MBTL1MASP2F2EPHX2
SCHEMBL27116140 0.92 NPY1R (0.47) MMP2MASP2F2EPHX2SPHK1
SCHEMBL30905443 0.88 NPY4R (0.55) SPHK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL7530347 0.88 CYP2D6 (0.49) MMP2MMP8
Water SCHEMBL8529560 0.87 SPHK1 (0.48) SPHK1NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL6380920 0.87 HDAC8 (0.48) MMP2MMP8
SCHEMBL27113228 0.85 MME (0.51) L3MBTL1MASP2F2EPHX2
SCHEMBL6864434 0.83 HPGD (0.46) MMP2NPY4RNPY1RNPY2RNPY5R

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
WO-2002024192-A1 DIPEPTIDE LIGANDS OF THE NPFF RECEPTOR FOR TREATING PAIN AND HYPERALGESIA INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2002-03-28 WO disclosed
EP-0564588-A4 HEXA- AND HEPTAPEPTIDE ANAPHYLATOXIN-RECEPTOR LIGANDS 1993-12-29 EP disclosed
EP-0564588-A1 HEXA- AND HEPTAPEPTIDE ANAPHYLATOXIN-RECEPTOR LIGANDS. ABBOTT LAB (US) 1993-10-13 EP disclosed