SCHEMBL7140923

SCHEMBL7140923

Cc1cc(N2CCCC2)c2ccc(-c3ccc(CC=O)s3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.46
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
MAPK1 P28482 3/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RECQL P46063 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
NPY5R Q15761 1/20 0.36
NTSR1 P30989 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL7146306 0.83 NCF1 (0.53) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL7146765 0.83 MEN1 (0.44) SMN1; SMN2MAPK1KDM4EMEN1KMT2A
SCHEMBL7137892 0.82 NCF1 (0.55) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL5409160 0.82 NCF1 (0.49) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL7146671 0.76 NCF1 (0.57) NCF1ADRB2ADRB1MAPK1HTT
SCHEMBL5405074 0.74 NCF1 (0.56) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL5412760 0.74 NCF1 (0.56) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL5412917 0.73 NCF1 (0.59) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL5397410 0.72 NCF1 (0.72) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL5403919 0.72 NCF1 (0.53) NCF1ADRB2ADRB1SMN1; SMN2MAPK1

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-1318981-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-18 EP disclosed
WO-2002020488-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 WO disclosed