SCHEMBL4682871

SCHEMBL4682871

COc1cc(N)ccc1Oc1ccc2c(c1)OCCCN2C(=O)c1ccc(OC2CCN(CC(C)C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
KDR P35968 4/20 0.40
LCK P06239 3/20 0.40
MET P08581 2/20 0.40
GAA P10253 1/20 0.40
FGFR1 P11362 2/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
KCNH2 Q12809 1/20 0.38
ADRB2 P07550 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL4233515 0.90 HTR4 (0.43) KMT2AMEN1KDRLCKMET
SCHEMBL4229335 0.80 KMT2A (0.37) KMT2AMEN1KDRLCKMET
SCHEMBL4233458 0.77 ADRB2 (0.46) KMT2AMEN1ADRB2
SCHEMBL4242398 0.74 MAOA (0.41) KMT2AMEN1ADRB2
SCHEMBL4850647 0.74 KDR (0.35) KDRLCKMETFGFR1CCR3
SCHEMBL4227016 0.72 MAOA (0.42) HRH3KMT2AMEN1ADRB2
SCHEMBL4240285 0.72 ADRB2 (0.45) KMT2AMEN1CCR3ADRB2
SCHEMBL4239009 0.67 MAOA (0.44) HRH3KMT2AMEN1ADRB2
SCHEMBL4231930 0.67 MEN1 (0.41) KMT2AMEN1
SCHEMBL4240130 0.66 ACHE (0.38) HRH3KMT2AMEN1GAAFGFR1

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-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed