SCHEMBL5735744

SCHEMBL5735744

COc1ccc(C2CCCCC2NC(=O)c2cccc(C(C)=O)c2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TAS1R3 Q7RTX0 4/20 0.48
TAS1R1 Q7RTX1 4/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMYD3 Q9H7B4 1/20 0.46
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALPL P05186 1/20 0.43
PDE4B Q07343 2/20 0.43
KDM1A O60341 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE5A O76074 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42

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
SCHEMBL5735749 1.00 HTT (0.51) HTTALDH1A1TAS1R3TAS1R1MEN1
SCHEMBL5063703 0.91 TAS1R3 (0.48) HTTTAS1R3TAS1R1MEN1KMT2A
SCHEMBL5737318 0.90 TAS1R3 (0.51) HTTALDH1A1TAS1R3TAS1R1MEN1
SCHEMBL5734789 0.89 TACR1 (0.49) ALDH1A1TAS1R3TAS1R1MEN1KMT2A
SCHEMBL5734799 0.89 TACR1 (0.49) ALDH1A1TAS1R3TAS1R1MEN1KMT2A
SCHEMBL6439700 0.86 CYP1A2 (0.53) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL6439699 0.86 CYP1A2 (0.53) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5733718 0.85 PKM (0.57) ALDH1A1TAS1R3TAS1R1MEN1KMT2A
SCHEMBL5733720 0.85 PKM (0.57) ALDH1A1TAS1R3TAS1R1MEN1KMT2A
SCHEMBL5733889 0.85 TACR1 (0.51) ALDH1A1TAS1R3TAS1R1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1650193-A2 6-Phenylphenanthridines with PDE-IV inhibiting activity ALTANA Pharma AG (DE) 2006-04-26 EP disclosed
EP-1147089-B1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-12-07 EP disclosed
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 US disclosed
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO disclosed