SCHEMBL6852145

SCHEMBL6852145

[CH2]Cc1cnn(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.55
DRD2 P14416 8/20 0.55
DRD3 P35462 8/20 0.55
GAA P10253 2/20 0.53
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
NR4A1 P22736 1/20 0.49
MPI P34949 1/20 0.49
RECQL P46063 1/20 0.49
ESR2 Q92731 1/20 0.49
HPGDS O60760 1/20 0.49
ALKBH2 Q6NS38 1/20 0.49
CYP2C9 P11712 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
HTR2C P28335 3/20 0.48

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
SCHEMBL28195223 0.82 CYP2A6 (0.49) DRD4DRD2DRD3GAAMAPT
SCHEMBL27163243 0.81 DRD4 (0.55) DRD4DRD2DRD3GAAMAPT
SCHEMBL8276924 0.81 DRD4 (0.55) DRD4DRD2DRD3GAAMAPT
SCHEMBL15945060 0.81 DRD4 (0.55) DRD4DRD2DRD3GAAMAPT
SCHEMBL2412911 0.81 GAA (0.58) DRD4DRD2DRD3GAAMAPT
SCHEMBL9608917 0.81 DRD4 (0.55) DRD4DRD2DRD3GAAMAPT
SCHEMBL27968359 0.81 DRD4 (0.55) DRD4DRD2DRD3GAAMAPT
SCHEMBL2408942 0.81 DRD4 (0.55) DRD4DRD2DRD3GAAMAPT
SCHEMBL15945077 0.79 DRD4 (0.54) DRD4DRD2DRD3GAAMAPT
SCHEMBL2241242 0.78 DRD4 (0.53) DRD4DRD2DRD3GAAMAPT

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
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed
EP-0023707-B1 SUBSTITUTED TETRAAZATRICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-04-30 EP disclosed
EP-0064775-A1 Substituted tetraazatricyclic compounds, process for their preparation and their use Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-11-17 EP disclosed
US-4317823-A FOR TREATMENT OF GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-02 US disclosed
EP-0023707-A1 Substituted tetraazatricyclic compounds, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-02-11 EP disclosed