SCHEMBL8077419

SCHEMBL8077419

CC(=N)NCCCCC(N)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.36
NPY4R P50391 3/20 0.33
TAAR1 Q96RJ0 3/20 0.33
NPY1R P25929 2/20 0.33
NPY2R P49146 2/20 0.33
NPY5R Q15761 2/20 0.33
CYP2C9 P11712 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HIF1A Q16665 2/20 0.33
GRIA1 P42261 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
CYP1A2 P05177 1/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 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
SCHEMBL8077802 0.86 MTNR1A (0.41)
SCHEMBL8077823 0.77 TSHR (0.37) LMNAALOX15TSHR
SCHEMBL10824656 0.75 SLC2A1 (0.58) SLC2A1CYP2C9TDP1HIF1ALMNA
SCHEMBL27485147 0.74 SLC2A1 (0.61) SLC2A1CYP2C9TDP1HIF1ALMNA
SCHEMBL28035911 0.74 SLC2A1 (0.61) SLC2A1CYP2C9TDP1HIF1ALMNA
SCHEMBL28036006 0.74 SLC2A1 (0.61) SLC2A1CYP2C9TDP1HIF1ALMNA
SCHEMBL28036384 0.74 SLC2A1 (0.61) SLC2A1CYP2C9TDP1HIF1ALMNA
SCHEMBL28035919 0.74 SLC2A1 (0.61) SLC2A1CYP2C9TDP1HIF1ALMNA
SCHEMBL3975453 0.73 SLC2A1 (0.51) SLC2A1TAAR1CYP2C9TDP1HIF1A
SCHEMBL27799770 0.72 TAAR1 (0.44) SLC2A1TAAR1CYP2C9TDP1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143790-A ENZYME INHIBITORS G.D. SEARLE & CO. (US) 2000-11-07 US claimed
EP-0749418-A1 L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-12-27 EP claimed
WO-1995024382-A1 L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1995-09-14 WO claimed
US-6143790-A ENZYME INHIBITORS G.D. SEARLE & CO. (US) 2000-11-07 US disclosed
EP-0749418-B1 L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-08-30 EP disclosed
WO-1995024382-A1 L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1995-09-14 WO disclosed