SCHEMBL625920

SCHEMBL625920

NC(=O)NCCc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.76
MTNR1B P49286 2/20 0.76
MMP9 P14780 1/20 0.73
MMP8 P22894 1/20 0.73
MMP14 P50281 1/20 0.73
NOTUM Q6P988 1/20 0.72
TSHR P16473 1/20 0.71
SNCA P37840 9/20 0.65
GFER P55789 1/20 0.65
HSD17B10 Q99714 1/20 0.65
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HPGD P15428 1/20 0.61
HTR2A P28223 1/20 0.61
TRPM8 Q7Z2W7 1/20 0.61
PTGS1 P23219 1/20 0.60
PTGS2 P35354 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.60

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
SCHEMBL32678267 0.87 MTNR1A (0.73) MTNR1AMTNR1BMMP9MMP8MMP14
SCHEMBL32678270 0.87 MTNR1A (0.73) MTNR1AMTNR1BMMP9MMP8MMP14
SCHEMBL4510886 0.86 MTNR1A (1.00) MTNR1AMTNR1BMMP9MMP8MMP14
SCHEMBL6028185 0.86 MTNR1A (0.68) MTNR1AMTNR1BMMP9MMP8MMP14
SCHEMBL10310234 0.86 MTNR1A (0.68) MTNR1AMTNR1BMMP9MMP8MMP14
SCHEMBL892461 0.85 MMP9 (0.79) MTNR1AMTNR1BMMP9MMP8MMP14
SCHEMBL892597 0.85 MMP9 (0.79) MTNR1AMTNR1BMMP9MMP8MMP14
SCHEMBL29679229 0.85 SPR (0.76) MTNR1AMTNR1BNOTUMTSHRLMNA
SCHEMBL13645692 0.85 SPR (0.76) MTNR1AMTNR1BNOTUMTSHRLMNA
SCHEMBL28872536 0.84 MTNR1A (0.77) MTNR1AMTNR1BMMP9MMP8MMP14

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
WO-2012020222-A1 COMPOUNDS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO claimed
WO-2012020222-A1 COMPOUNDS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed