SCHEMBL7399442

SCHEMBL7399442

CCNc1ccc(OC)c(OC)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
PGK1 P00558 4/20 0.38
GSK3B P49841 1/20 0.38
MAP4K2 Q12851 1/20 0.38
SLC2A1 P11166 1/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
MAPK1 P28482 1/20 0.38
CRHR2 Q13324 1/20 0.38
FABP4 P15090 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6380564 0.83 PDE4B (0.43) PDE4BPDE4DPGK1ALDH1A1POLB
SCHEMBL12844701 0.79 PGK1 (0.41) PDE4BPDE4DPGK1GSK3BMAP4K2
SCHEMBL11640261 0.79 PDE4B (0.40) PDE4BPDE4DPGK1ALDH1A1POLB
SCHEMBL11454393 0.76 DYRK1A (0.39) PDE4BPDE4DPGK1ALDH1A1POLB
SCHEMBL4778825 0.76 PDE4B (0.43) PDE4BPDE4DPGK1KDM1AMAOB
SCHEMBL9024006 0.75 PDE4B (0.43) PDE4BPDE4DPGK1ALDH1A1KDM4E
SCHEMBL9132120 0.74 SMN1; SMN2 (0.47) PDE4BPDE4DALDH1A1POLBKDM4E
Hydrochloric Acid SCHEMBL14999713 0.74 PDE4B (0.42) PDE4BPDE4DPGK1KDM1AMAOB
SCHEMBL14655577 0.73 PGK1 (0.40) PDE4BPDE4DPGK1ALDH1A1POLB
SCHEMBL11070566 0.73 LMNA (0.47) PDE4BPDE4DPGK1GSK3BMAP4K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157009-A1 DOPAMINE D1 RECEPTOR AGONIST COMPOUNDS CeNeS Limited (GB) 2001-11-28 EP disclosed
WO-2000049000-A1 DOPAMINE D1 RECEPTOR AGONIST COMPOUNDS CENES LIMITED (GB) 2000-08-24 WO disclosed
EP-0476156-B1 SOLID ORAL PREPARATION CONTAINING CATECHOL COMPOUND EISAI CO LTD (JP) 1996-08-07 EP disclosed
US-5292521-A And an organic acid or salt EISAI CO., LTD. (JP) 1994-03-08 US disclosed
EP-0476156-A1 SOLID ORAL PREPARATION CONTAINING CATECHOL COMPOUND Eisai Co., Ltd. (JP) 1992-03-25 EP disclosed
US-4321195-A 6-Halo-7,8-dimethoxy-1-(methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE CORPORATION (US) 1982-03-23 US disclosed
US-4197297-A 6-Halo-7,8-dihydroxy-1-(hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE CORPORATION (US) 1980-04-08 US disclosed
US-4111957-A DOPAMINERGIC SMITHKLINE CORPORATION (US) 1978-09-05 US disclosed