SCHEMBL7566562

SCHEMBL7566562

CCCCNC(=O)c1ccc(N(C2CCNCC2)C(CCO)Oc2cccc([N+](=O)[O-])c2N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
GSK3B P49841 1/20 0.35
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.33
TLR2 O60603 2/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX12 P18054 1/20 0.32
HPGD P15428 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL7566557 0.80 KMT2A (0.39) KMT2ALMNAPOLBPRMT5WDR77
SCHEMBL6303593 0.71 CASR (0.39) KMT2ALMNAPOLBGSK3BALDH1A1
SCHEMBL7465483 0.66 MAPT (0.35) KMT2ALMNAPOLBALDH1A1GAA
SCHEMBL6303591 0.66 ADRB3 (0.42) KMT2ALMNAPOLBGSK3BALDH1A1
SCHEMBL28102683 0.60 MEN1 (0.66) KMT2ALMNAPOLBPRMT5WDR77
SCHEMBL28451372 0.60 GAA (0.49) KMT2AALDH1A1GAASMN1; SMN2HPGD
SCHEMBL28831614 0.60 LMNA (0.61) KMT2ALMNAPOLBPRMT5WDR77
SCHEMBL5506646 0.60 MAPT (0.75) KMT2ALMNAALDH1A1GAAMAPT
SCHEMBL7916058 0.59 TMEM97 (0.62) KMT2ALMNAPRMT5WDR77ALDH1A1
SCHEMBL11859482 0.58 LMNA (0.46) KMT2ALMNAPOLBALDH1A1GAA

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-1214313-A2 HETEROARYLOXY PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-06-19 EP disclosed
WO-2001017989-A2 HETEROARYLOXYPROPANOLAMINES AS BETA3-ADRENERGIC RECEPTOR AGONISTS SANOFI-SYNTHELABO (FR) 2001-03-15 WO disclosed