SCHEMBL6131920

SCHEMBL6131920

CNC(=O)Oc1ccc(CN2CCN(CCO)CC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
KDM4E B2RXH2 3/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
FAAH O00519 1/20 0.51
PKM P14618 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6131918 0.84 KMT2A (0.55) KMT2AMEN1KDM4ETP53MAPK1
SCHEMBL6131995 0.83 MAPT (0.61) KMT2AMEN1KDM4ETP53MAPK1
Hydrochloric Acid SCHEMBL6131860 0.82 SMN1; SMN2 (0.60) KMT2AMEN1KDM4ETP53FAAH
SCHEMBL6131943 0.82 KDM4E (0.63) KMT2AKDM4EMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6131936 0.81 KDM4E (0.55) KMT2AMEN1KDM4EMAPK1FAAH
SCHEMBL6131904 0.81 ALDH1A1 (0.56) KMT2AKDM4EMAPK1PKMALDH1A1
Hydrochloric Acid SCHEMBL6131827 0.81 KDM4E (0.54) KMT2AMEN1KDM4EMAPK1FAAH
SCHEMBL6131846 0.81 SMN1; SMN2 (0.70) KMT2AMEN1KDM4ETP53MAPK1
SCHEMBL6131830 0.81 KDM4E (0.62) KMT2AMEN1KDM4EFAAHALDH1A1
SCHEMBL6132010 0.81 GAA (0.62) KMT2AMEN1KDM4EFAAHALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP claimed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP claimed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO claimed