SCHEMBL8068008

SCHEMBL8068008

COc1cccc(CCN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=NC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)C(N)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPOR P19235 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35

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
SCHEMBL8071280 0.93 ATM (0.40) KMT2AEPORHDAC1HDAC7HDAC6
SCHEMBL8068125 0.90 FOLH1 (0.42) MTNR1AMTNR1BMEN1KMT2AEPOR
SCHEMBL8059172 0.90 ATM (0.38) KMT2AHDAC1HDAC6FOLH1
SCHEMBL8063017 0.88 NPY1R (0.37) FOLH1
SCHEMBL8070235 0.88 NPY1R (0.36) FOLH1
SCHEMBL7600882 0.86 TRPM8 (0.41) MTNR1AMTNR1BMEN1KMT2AEPOR
SCHEMBL8076494 0.83 CNR1 (0.38) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL8058775 0.83 MTNR1A (0.44) MTNR1AMTNR1BKMT2ASIGMAR1
SCHEMBL8068280 0.82 ATM (0.45) KMT2AFOLH1NPC1RAB9A
SCHEMBL7599024 0.82 CA1 (0.42) KMT2AHDAC3HDAC4HDAC1HDAC7

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-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 WO disclosed