SCHEMBL8007247

SCHEMBL8007247

O=[C]NN1CCCCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP2C19 P33261 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL5639141 0.91
SCHEMBL1272614 0.78 ALDH1A1 (0.37) ALDH1A1MAPTHSD17B10L3MBTL1KMT2A
SCHEMBL28464884 0.74 TSHR (0.35) ALDH1A1MAPTHSD17B10L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL28195143 0.72 TSHR (0.34) ALDH1A1MAPTHSD17B10L3MBTL1KMT2A
SCHEMBL30203870 0.72 BRD4 (0.38) ALDH1A1MAPTHSD17B10L3MBTL1KMT2A
SCHEMBL6010064 0.71
SCHEMBL8561276 0.69 TSHR (0.40) ALDH1A1MAPTHSD17B10L3MBTL1KMT2A
SCHEMBL3350811 0.69 KMT2A (0.40) ALDH1A1MAPTHSD17B10L3MBTL1KMT2A
SCHEMBL28835510 0.69 ALDH1A1 (0.33) ALDH1A1MAPTHSD17B10L3MBTL1BRD4
SCHEMBL14914458 0.67 ALDH1A1 (0.36) ALDH1A1MAPTHSD17B10L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706532-B1 Peptides having endothelin antagonictic activity,their preparation and pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO (JP) 2000-02-02 EP disclosed
US-5888972-A ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-30 US disclosed
EP-0457195-B1 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1998-04-15 EP disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0706532-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-17 EP disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
WO-1995000537-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed