SCHEMBL1970322

SCHEMBL1970322

COc1ccc(CCCCNCC2CC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
KDM4E B2RXH2 1/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ATM Q13315 1/20 0.51
SLC2A1 P11166 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.48
SMPD1 P17405 1/20 0.48
EPHX1 P07099 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1965700 0.90 POLB (0.59) POLBKDM4EKMT2AMEN1ATM
SCHEMBL11934839 0.84 KMT2A (0.53) POLBKDM4EKMT2AMEN1ATM
SCHEMBL13438704 0.84 KMT2A (0.53) POLBKDM4EKMT2AMEN1ATM
Hydrochloric Acid SCHEMBL7272730 0.83 SLC2A1 (0.60) KDM4EKMT2AMEN1SLC2A1MAPT
SCHEMBL1970788 0.81 KMT2A (0.56) POLBKDM4EKMT2AMEN1ATM
SCHEMBL1967751 0.81 CALM1 (0.53) POLBKDM4EKMT2AMEN1ATM
SCHEMBL1969966 0.79 RECQL (0.48) POLBKDM4EKMT2AMEN1ATM
SCHEMBL2403138 0.79 KMT2A (0.47) POLBKDM4EKMT2AMEN1ATM
SCHEMBL1968618 0.79 PKM (0.47) POLBKDM4EKMT2AMEN1ATM
SCHEMBL1969543 0.79 TAAR1 (0.56)

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-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed