SCHEMBL7954345

SCHEMBL7954345

[CH2]c1cccc(OCCN2CCN(C)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 2/20 0.59
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.59
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 3/20 0.54
LTA4H P09960 2/20 0.54
DRD3 P35462 2/20 0.54
HRH3 Q9Y5N1 1/20 0.54
CYP2D6 P10635 1/20 0.51
BACE1 P56817 1/20 0.50
GAA P10253 1/20 0.49
ABCB1 P08183 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
EPHX2 P34913 1/20 0.47
DRD2 P14416 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
SCHEMBL7945821 0.93 HRH3 (0.63) KMT2AMEN1SMN1; SMN2HTTLMNA
SCHEMBL7955174 0.88 LTA4H (0.66) SMN1; SMN2HTTLMNAMAPK1KDM4E
SCHEMBL2463808 0.84 KDM4E (0.61) KMT2AMEN1SMN1; SMN2HTTLMNA
SCHEMBL12810770 0.83 KMT2A (0.69) KMT2AMEN1SMN1; SMN2HTTLMNA
SCHEMBL3206091 0.82 KMT2A (0.68) KMT2AMEN1SMN1; SMN2HTTLMNA
SCHEMBL7954349 0.81 LTA4H (0.63) KMT2AMEN1KDM4EALDH1A1LTA4H
SCHEMBL12406933 0.80 LTA4H (0.77) KMT2AMEN1LTA4HDRD3HRH3
SCHEMBL26985925 0.80 MEN1 (0.61) KMT2AMEN1SMN1; SMN2HTTLMNA
SCHEMBL30831619 0.80 MEN1 (0.61) KMT2AMEN1SMN1; SMN2HTTLMNA
SCHEMBL7959785 0.80 KDM4E (0.67) KMT2AMEN1SMN1; SMN2HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297274-B1 SUBSTITUTED 5-HYDROXYFURANONES WARNER-LAMBERT COMPANY 2001-10-02 US claimed
WO-1997037985-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY WARNER-LAMBERT COMPANY (US) 1997-10-16 WO claimed
US-6297274-B1 SUBSTITUTED 5-HYDROXYFURANONES WARNER-LAMBERT COMPANY 2001-10-02 US disclosed
WO-1997037985-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY WARNER-LAMBERT COMPANY (US) 1997-10-16 WO disclosed