SCHEMBL5790742

SCHEMBL5790742

COc1ccc([C@@H]2C=CC[CH]C(=O)N2CC2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ADRB2 P07550 2/20 0.38
HTT P42858 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 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
SCHEMBL4833190 0.78 MEN1 (0.41) KMT2AMEN1POLBMAPTL3MBTL1
SCHEMBL4838017 0.78 MEN1 (0.41) KMT2AMEN1POLBMAPTL3MBTL1
SCHEMBL4841426 0.72 ALDH1A1 (0.40) KMT2AMEN1POLBMAPT
SCHEMBL8319687 0.72 ALDH1A1 (0.40) KMT2AMEN1POLBMAPT
SCHEMBL19985879 0.62 FPR1 (0.56) KMT2AMEN1POLBL3MBTL1TDP1
Hydrochloric Acid SCHEMBL19972298 0.62 FPR1 (0.55) POLBL3MBTL1TDP1PTGS1PTGS2
Hydrochloric Acid SCHEMBL19972295 0.62 FPR1 (0.55) POLBL3MBTL1TDP1PTGS1PTGS2
SCHEMBL28075046 0.61 MAOA (0.47) MAPTL3MBTL1KDM4ETDP1PTGS2
SCHEMBL5436952 0.60 PDE10A (0.48) L3MBTL1
SCHEMBL12227846 0.59 DRD2 (0.54) KMT2AMEN1MAPT

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-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP claimed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO claimed
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed