SCHEMBL8069677

SCHEMBL8069677

CCNC(=O)[C@@H](CCCNC(=N)N)N(CCc1ccc(OC)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CASR P41180 1/20 0.39
BMP1 P13497 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
EPHX1 P07099 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL9196992 0.92 CNR1 (0.42) CNR1CNR2ALDH1A1KMT2AHDAC1
SCHEMBL8069354 0.92 CASR (0.45) CNR1CNR2ALDH1A1KMT2AHDAC1
SCHEMBL9194821 0.92 ALDH1A1 (0.42) CNR1CNR2ALDH1A1KMT2AHDAC1
SCHEMBL8058871 0.92 ALDH1A1 (0.42) CNR1CNR2ALDH1A1KMT2AHDAC1
SCHEMBL9194825 0.92 ALDH1A1 (0.42) CNR1CNR2ALDH1A1KMT2AHDAC1
SCHEMBL9196147 0.87 ALDH1A1 (0.43) CNR1CNR2ALDH1A1KMT2AHDAC1
SCHEMBL9196151 0.87 ALDH1A1 (0.43) CNR1CNR2ALDH1A1KMT2AHDAC1
SCHEMBL7600900 0.84 CNR1 (0.46) CNR1CNR2ALDH1A1HDAC1HDAC7
SCHEMBL8069613 0.84 PLAAT3 (0.38) CNR1CNR2
SCHEMBL9195083 0.83 CNR1 (0.43) CNR1CNR2ALDH1A1KMT2AHDAC1

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

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