SCHEMBL7473980

SCHEMBL7473980

COC(=O)CCc1cc2ccc(C(=O)OC)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
KIF11 P52732 1/20 0.45
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
PARP1 P09874 2/20 0.42
RAB9A P51151 1/20 0.41
CREBBP Q92793 1/20 0.41
HSD17B10 Q99714 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 2/20 0.40
PSMB8 P28062 1/20 0.40

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
SCHEMBL7420103 0.92 MTNR1A (0.45) MTNR1AMTNR1BKIF11KDM4EALDH1A1
SCHEMBL7420510 0.86 KMT2A (0.53) MTNR1AMTNR1BKIF11KDM4EALDH1A1
SCHEMBL7411302 0.84 L3MBTL1 (0.48) MTNR1AMTNR1BKIF11KDM4EALDH1A1
SCHEMBL16240166 0.83 MTNR1A (0.49) MTNR1AMTNR1BKDM4EALDH1A1L3MBTL1
SCHEMBL5881814 0.83 KIF11 (0.49) MTNR1AMTNR1BKIF11KDM4EALDH1A1
SCHEMBL7468896 0.82 KIF11 (0.48) MTNR1AMTNR1BKIF11KDM4EALDH1A1
SCHEMBL10984403 0.82 MEN1 (0.46) MTNR1AMTNR1BKIF11L3MBTL1MEN1
SCHEMBL10982423 0.82 MEN1 (0.46) MTNR1AMTNR1BKIF11L3MBTL1MEN1
SCHEMBL10983062 0.82 MEN1 (0.46) MTNR1AMTNR1BKIF11L3MBTL1MEN1
SCHEMBL9108723 0.80 MTNR1A (0.61) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10

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
EP-0820441-B1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-26 EP disclosed
US-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed
CN-1187812-A Indole derivatives as CGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 1998-07-15 CN disclosed
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed