SCHEMBL6710308

SCHEMBL6710308

Cc1cc(N2CCCC2)c2ccc(N(C)c3cccc4ccccc34)cc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 7/20 0.58
▸ ADRB2 P07550 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ HTT P42858 4/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ USP2 O75604 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL5028584 0.85 NCF1 (0.65) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL27597792 0.79 NCF1 (0.53) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL5024416 0.79 NCF1 (0.53) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL27597814 0.78 NCF1 (0.52) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL5411882 0.77 NCF1 (0.64) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL30511704 0.76 NCF1 (0.97) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL5022698 0.75 NCF1 (0.54) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL5025376 0.75 NCF1 (0.57) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL5024569 0.74 NCF1 (0.50) NCF1ADRB2ADRB1HTTMAPK1
SCHEMBL5419192 0.74 NCF1 (0.56) NCF1ADRB2ADRB1HTTMAPK1

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-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 — — EP disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — WO disclosed
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