SCHEMBL4661248

SCHEMBL4661248

Cc1ccc(C)c(Nc2ccc(CN(C)c3ccccc3CCO)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 3/20 0.34
SYK P43405 1/20 0.34
GALR2 O43603 1/20 0.33
EGFR P00533 3/20 0.32
CSF1R P07333 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32
LCK P06239 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4661493 0.84 HTT (0.35) POLBKDM4ELMNAMAPTSMN1; SMN2
SCHEMBL4662703 0.82 JAK2 (0.40) MAPTSYK
SCHEMBL4661242 0.82 POLB (0.45) POLBKDM4ELMNAMEN1KMT2A
SCHEMBL4343366 0.75 KDM4E (0.48) POLBKDM4ELMNAMEN1KMT2A
SCHEMBL4661441 0.74 CDK4 (0.36) KDM4EMEN1KMT2AMAPT
SCHEMBL4662731 0.73 PTPN1 (0.34) KDM4ELMNASMN1; SMN2
SCHEMBL4661233 0.69 HIF1A (0.40) POLBKDM4ELMNASMN1; SMN2HTT
SCHEMBL4661367 0.69 ACACB (0.42) OPRM1OPRD1
SCHEMBL4661324 0.68 PTPN1 (0.39) POLBLMNAMEN1KMT2AMAPT
SCHEMBL28339089 0.68 TDP1 (0.45) KDM4EKMT2A

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