SCHEMBL7210500

SCHEMBL7210500

Cc1cc2cccc(C(CO)N3CCCC[C@H]3C)c2nc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
PDE10A Q9Y233 1/20 0.36
CD274 Q9NZQ7 8/20 0.35
PDCD1 Q15116 4/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
P2RX7 Q99572 1/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPY5R Q15761 1/20 0.33

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
SCHEMBL7210503 1.00 KDM4E (0.37) KDM4EPDE10ACD274PDCD1PDK1
Hydrochloric Acid SCHEMBL7210309 0.99 KDM4E (0.39) KDM4EPDE10ACD274PDCD1PDK1
Hydrochloric Acid SCHEMBL7216184 0.99 KDM4E (0.39) KDM4EPDE10ACD274PDCD1PDK1
SCHEMBL7210539 0.84 MAPT (0.32) KDM4EPDE10ACD274PDK1PDK2
SCHEMBL7210537 0.84 MAPT (0.32) KDM4EPDE10ACD274PDK1PDK2
SCHEMBL7211975 0.74 PDE10A (0.48) KDM4EPDE10APDK1PDE1APDE1B
SCHEMBL7211972 0.74 PDE10A (0.48) KDM4EPDE10APDK1PDE1APDE1B
SCHEMBL5347104 0.69 KDM4E (0.54) KDM4ELMNAALDH1A1HRH3
SCHEMBL7210617 0.69 PDE10A (0.43) KDM4EPDE10APDK1PDE1APDE1B
SCHEMBL8025972 0.69 KDM4E (0.36) KDM4EP2RX7L3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6617336-B1 Treatment of urinary incontinence, venous insufficiency, migraine or gastrointestinal disorders SANOFI-SYNTHELABO (FR) 2003-09-09 US disclosed