SCHEMBL7568602

SCHEMBL7568602

COc1ccc2c(CCNC(=O)CCC(N)=O)c[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.71
MTNR1B P49286 6/20 0.71
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
MAPT P10636 2/20 0.62
HPGD P15428 2/20 0.60
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A1 P04798 1/20 0.58
MPO P05164 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
CYP2D6 P10635 1/20 0.58
NQO2 P16083 1/20 0.58
HTR2B P41595 1/20 0.58
RAB9A P51151 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58

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
SCHEMBL1129785 0.85 MTNR1A (0.77) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL8020879 0.85 HTR2A (0.67) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL4490583 0.83 MTNR1A (1.00) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL30630306 0.83 MTNR1A (1.00) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL14368085 0.81 MTNR1A (0.78) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL16137407 0.81 MTNR1A (0.81) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL5616635 0.81 MTNR1A (0.85) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL32678246 0.78 MTNR1A (0.79) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL4854372 0.78 HTR2A (0.63) MTNR1AMTNR1BKMT2AMEN1MAPT
SCHEMBL14301523 0.78 MTNR1A (1.00) MTNR1AMTNR1BKMT2AMEN1MAPT

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-1082127-A4 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER LAMBERT CO (US) 2002-10-09 EP claimed
EP-1082127-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 2001-03-14 EP claimed
WO-1999056765-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-11-11 WO claimed