SCHEMBL4607757

SCHEMBL4607757

CC(O)C(Oc1cccc2[nH]c3ccccc3c12)N1CCN(Cc2ccc([N+](=O)[O-])o2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ADRB3 P13945 8/20 0.39
BCHE P06276 1/20 0.38
CHRNB2 P17787 1/20 0.38
ACHE P22303 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
ADRB2 P07550 7/20 0.37
ADRB1 P08588 6/20 0.37
DNM1 Q05193 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4608251 0.84 MITF (0.43) POLBADRB3CHRNA4MEN1ALDH1A1
SCHEMBL2990481 0.83 ADRB3 (0.56) ADRB3ADRB2ADRB1DNM1L3MBTL1
SCHEMBL4607514 0.81 ADRB3 (0.49) ADRB3BCHECHRNB2ACHECHRNA7
SCHEMBL4605555 0.76 ADRB3 (0.49) ADRB3ADRB2ADRB1DNM1
SCHEMBL4606756 0.76 ADRB3 (0.47) ADRB3BCHECHRNB2ACHECHRNA7
SCHEMBL4607708 0.75 BCHE (0.46) ADRB3BCHECHRNB2ACHECHRNA7
SCHEMBL4605132 0.74 ADRB3 (0.46) ADRB3ADRB2ADRB1DNM1MAPT
SCHEMBL4606968 0.73 ADRB3 (0.42) ADRB3ADRB2ADRB1DNM1MEN1
SCHEMBL4696496 0.71 ALDH1A1 (0.41) POLBADRB3CHRNA4ADRB2ADRB1
SCHEMBL4607629 0.71 KDM4E (0.52) MEN1ALDH1A1MAPTKMT2AL3MBTL1

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 disclosed
WO-2007042912-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO disclosed