SCHEMBL5077433

SCHEMBL5077433

c1cc(N2CCOCC2)ccc1CN1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.72
L3MBTL3 Q96JM7 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HRH4 Q9H3N8 1/20 0.58
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.55
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TMEM97 Q5BJF2 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
CHKA P35790 1/20 0.53
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 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
SCHEMBL31010136 0.89 HRH3 (0.75) HRH3L3MBTL3L3MBTL1HRH4ALDH1A1
Hydrochloric Acid SCHEMBL9397270 0.87 HRH3 (0.72) HRH3L3MBTL3L3MBTL1HRH4ALDH1A1
SCHEMBL27483128 0.86 HRH3 (0.55) HRH3L3MBTL3L3MBTL1ALDH1A1KDM4E
SCHEMBL4937224 0.84 HRH3 (0.62) HRH3L3MBTL3L3MBTL1HRH4HPGD
SCHEMBL4938456 0.82 HRH3 (0.64) HRH3L3MBTL3L3MBTL1ALDH1A1KDM4E
SCHEMBL4940225 0.82 L3MBTL3 (0.81) HRH3L3MBTL3L3MBTL1
SCHEMBL4934935 0.82 HRH3 (0.64) HRH3L3MBTL3L3MBTL1ALDH1A1KDM4E
SCHEMBL5591867 0.82 KDM4E (0.53) HRH3L3MBTL3L3MBTL1ALDH1A1KDM4E
SCHEMBL28860078 0.81 HRH3 (0.62) HRH3L3MBTL3L3MBTL1HRH4ALDH1A1
SCHEMBL15467001 0.80 HRH3 (0.87) HRH3ALDH1A1HPGDSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562600-A4 COMBINATION ADMINISTRATION OF AN INDOLINONE WITH A CHEMOTHERAPEUTIC AGENT FOR CELL PROLIFERATION DISORDERS SUGEN INC (US) 2008-06-25 EP disclosed
EP-1599207-A2 TREATMENT OF EXCESSIVE OSTEOLYISIS WITH INDOLINONE COMPOUNDS Sugen, Inc. (US) 2005-11-30 EP disclosed
EP-1562600-A2 COMBINATION ADMINISTRATION OF AN INDOLINONE WITH A CHEMOTHERAPEUTIC AGENT FOR CELL PROLIFERATION DISORDERS Sugen, Inc. (US) 2005-08-17 EP disclosed
WO-2004075775-A2 TREATMENT OF EXCESSIVE OSTEOLYISIS WITH INDOLINONE COMPOUNDS SUGEN, INC. (US) 2004-09-10 WO disclosed
EP-1434774-A1 3-(4-SUBSTITUTED HETEROCYCLYL)-PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2004-07-07 EP disclosed
WO-2004045523-A2 COMBINATION ADMINISTRATION OF AN INDOLINONE WITH A CHEMOTHERAPEUTIC AGENT FOR CELL PROLIFERATION DISORDERS SUGEN, INC. (US) 2004-06-03 WO disclosed
WO-2003031438-A1 3-[4-(SUBSTITUTED HETEROCYCLYL)-PYRROL-2-YLMETHYLIDENE]-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2003-04-17 WO disclosed