SCHEMBL4035190

SCHEMBL4035190

NC(=O)NC=O.O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1CCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.42
EGFR P00533 2/20 0.42
ADAM17 P78536 5/20 0.40
MMP1 P03956 4/20 0.40
MMP3 P08254 2/20 0.40
MMP9 P14780 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.40
MCHR1 Q99705 1/20 0.39
KMT2A Q03164 2/20 0.39
MMP13 P45452 1/20 0.39
ADAM33 Q9BZ11 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.38
TACR2 P21452 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL4038954 0.91 MMP3 (0.43) ADAM17MMP1MMP3MMP9MAPT
SCHEMBL4035748 0.82 MMP1 (0.40) ADAMTS4ADAM17MMP1MMP3MMP9
SCHEMBL4038496 0.76 PSEN1 (0.39) MMP1MMP3MMP9ALDH1A1KMT2A
SCHEMBL4035688 0.72 CA12 (0.39) MMP9
SCHEMBL4038524 0.69 MMP2 (0.34) MMP1MMP3MMP9
SCHEMBL28211954 0.64 KMT2A (0.62) EGFRMAPTALDH1A1MCHR1KMT2A
SCHEMBL1956688 0.61 LTA4H (0.79) EGFRMCHR1KMT2ARAB9AHTT
SCHEMBL12041572 0.61 RAB9A (0.71) EGFRMAPTALDH1A1KMT2ARAB9A
SCHEMBL22411529 0.61 RAB9A (0.53) MAPTALDH1A1RAB9AHTT
Lithium Ion SCHEMBL9984158 0.61 MAPT (0.67) EGFRMAPTALDH1A1KMT2ARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP disclosed