SCHEMBL4606756

SCHEMBL4606756

COc1cc(CN2CCN(C(Oc3cccc4[nH]c5ccccc5c34)C(C)O)CC2)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.47
ADRB1 P08588 7/20 0.47
ADRB2 P07550 7/20 0.47
BCHE P06276 1/20 0.44
CHRNB2 P17787 1/20 0.44
ACHE P22303 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SIGMAR1 Q99720 1/20 0.39
DNM1 Q05193 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 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
SCHEMBL4607708 0.90 BCHE (0.46) ADRB3ADRB1ADRB2BCHECHRNB2
SCHEMBL4607514 0.89 ADRB3 (0.49) ADRB3ADRB1ADRB2BCHECHRNB2
SCHEMBL2994599 0.83 ADRB2 (0.68) ADRB3ADRB1ADRB2KMT2ADNM1
SCHEMBL4605555 0.80 ADRB3 (0.49) ADRB3ADRB1ADRB2DNM1
SCHEMBL4608053 0.80 MAPT (0.50) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL4605132 0.78 ADRB3 (0.46) ADRB3ADRB1ADRB2KMT2ADNM1
SCHEMBL4607757 0.76 POLB (0.44) ADRB3ADRB1ADRB2BCHECHRNB2
SCHEMBL4605749 0.75 TLR9 (0.49) ADRB3ADRB1ADRB2LMNA
SCHEMBL4606968 0.75 ADRB3 (0.42) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL4606845 0.74 ADRB2 (0.42) ADRB3ADRB1ADRB2BCHEACHE

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-1945612-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS Orchid Research Laboratories Limited (IN) 2008-07-23 EP claimed
WO-2007042912-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO claimed