SCHEMBL7700836

SCHEMBL7700836

O=C(NCC1(c2ccccc2)CCCC1)N1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
L3MBTL1 Q9Y468 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.60
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 3/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 1/20 0.53
SLC6A4 P31645 1/20 0.53
EPHX2 P34913 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL7094158 0.87 LMNA (0.56) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL7094245 0.85 LMNA (0.54) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9640407 0.79 LMNA (0.68) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3373766 0.79 LMNA (0.68) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3460771 0.78 SMN1; SMN2 (0.95) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3984004 0.77 LMNA (0.69) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL14517020 0.77 HSD17B10 (0.52) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9818668 0.77 CNR1 (0.70) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10083664 0.76 LMNA (1.00) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL300331 0.75 CNR1 (0.72) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed