SCHEMBL6775808

SCHEMBL6775808

CCOc1ncc(I)cc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 13/20 0.43
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL22703882 0.88 TSHR (0.43) ALDH1A1MAPTSMN1; SMN2KDM4EGLA
SCHEMBL6361867 0.84 KMT2A (0.49) ALDH1A1MAPTSMN1; SMN2LMNARXFP1
SCHEMBL6621875 0.83 MKNK1 (0.43) HTTTDP1LMNAMAPK1RXFP1
SCHEMBL23525777 0.82 ALDH1A1 (0.46) ALDH1A1HTTTDP1MAPTSMN1; SMN2
SCHEMBL6782766 0.80 ALDH1A1 (0.43) ALDH1A1HTTTDP1MAPTSMN1; SMN2
SCHEMBL215798 0.77 OPRK1 (0.47) OPRK1ALDH1A1LMNAKDM4EGLA
SCHEMBL8091281 0.77 OPRK1 (0.47) OPRK1ALDH1A1MAPTLMNAKDM4E
SCHEMBL28403320 0.77 OPRK1 (0.47) OPRK1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL14548784 0.76 OPRK1 (0.44) OPRK1ALDH1A1KDM4EGLAGAA
SCHEMBL1505507 0.76 OPRK1 (0.46) OPRK1ALDH1A1KDM4EGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed
EP-1222190-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2002-07-17 EP disclosed
WO-2001027112-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2001-04-19 WO disclosed