SCHEMBL7044443

SCHEMBL7044443

Cc1cc(N2CCCCC2)c2ccc(COc3ccccc3C#N)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.52
FFAR1 O14842 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HTR6 P50406 1/20 0.40
NPY5R Q15761 1/20 0.39
PKM P14618 1/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL5517334 0.99 NCF1 (0.50) NCF1FFAR1L3MBTL1ATMADRB2
SCHEMBL5517271 0.89 NCF1 (0.42) NCF1FFAR1HTR6
SCHEMBL5531932 0.89 FFAR1 (0.43) NCF1FFAR1HTR6
SCHEMBL5518640 0.88 NCF1 (0.44) NCF1ADRB2ADRB1ALDH1A1HTR6
SCHEMBL5519494 0.87 NCF1 (0.42) NCF1ADRB2ADRB1ALDH1A1HTR6
SCHEMBL5519063 0.87 NCF1 (0.42) NCF1
SCHEMBL5522244 0.87 NCF1 (0.42) NCF1L3MBTL1ALDH1A1HTR6PKM
SCHEMBL5513324 0.87 NCF1 (0.42) NCF1PKM
SCHEMBL5514139 0.86 NCF1 (0.55) NCF1L3MBTL1ATMADRB2ADRB1
SCHEMBL5522907 0.85 NCF1 (0.47) NCF1FFAR1L3MBTL1ADRB2ADRB1

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-1432421-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2004-06-30 EP disclosed
WO-2003028726-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 WO disclosed