SCHEMBL4664285

SCHEMBL4664285

OCC(NCc1cnc2ccccc2c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPV3 Q8NET8 2/20 0.44
CYP1A2 P05177 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
FAAH O00519 3/20 0.42
TPH1 P17752 1/20 0.41
ACP1 P24666 1/20 0.41
ADRB2 P07550 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
MGAM O43451 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ATG4B Q9Y4P1 1/20 0.39
TACR3 P29371 1/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL14315379 0.81 SMN1; SMN2 (0.50) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL8624930 0.79 ADRB2 (0.44) TRPV3CYP1A2ADRB2SMN1; SMN2
SCHEMBL12890740 0.77 KDM1A (0.50) KDM1AMAOAMAOBKMT2ATRPV3
SCHEMBL4350261 0.76 LMNA (0.52) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL4357737 0.76 LMNA (0.52) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL4662644 0.76 LMNA (0.52) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL424037 0.76 SMN1; SMN2 (0.61) MEN1KMT2AADRB2ALDH1A1HPGD
SCHEMBL4853220 0.76 SMN1; SMN2 (0.61) MEN1KMT2AADRB2ALDH1A1HPGD
SCHEMBL1848481 0.76 SMN1; SMN2 (0.61) MEN1KMT2AADRB2ALDH1A1HPGD
SCHEMBL7205515 0.74 KDM1A (0.48) KDM1AMAOAMAOBKMT2ATRPV3

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-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