SCHEMBL4662644

SCHEMBL4662644

OC(CNCc1cnc2ccccc2c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
KDM4E B2RXH2 2/20 0.51
PLA2G1B P04054 1/20 0.51
POLB P06746 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
SLC16A3 O15427 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
CYP1A2 P05177 1/20 0.43
HDAC3 O15379 1/20 0.42

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
SCHEMBL4357737 1.00 LMNA (0.52) LMNAKDM4EPLA2G1BPOLBATG4B
SCHEMBL4350261 1.00 LMNA (0.52) LMNAKDM4EPLA2G1BPOLBATG4B
SCHEMBL28361265 0.83 MEN1 (0.51) KDM4EKDM1AMAOAMAOBMEN1
SCHEMBL4662612 0.82 KDM1A (0.41) LMNAKDM4EATG4BKDM1AMAOA
SCHEMBL5930103 0.79 TPH1 (0.47) KDM4EKDM1AMAOAMAOBMEN1
SCHEMBL28296061 0.76 HDAC6 (0.50) KDM4EATG4BKDM1AMAOAMAOB
SCHEMBL4664285 0.76 KDM1A (0.47) LMNAKDM4EATG4BKDM1AMAOA
SCHEMBL6400559 0.76 MEN1 (0.41) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL7278068 0.76 LMNA (0.77) LMNAKDM4EPLA2G1BPOLBATG4B
SCHEMBL2289990 0.76 LMNA (0.77) LMNAKDM4EPLA2G1BPOLBATG4B

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-2007707-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP claimed
WO-2007118041-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO claimed
EP-2007707-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007118041-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed