SCHEMBL5734111

SCHEMBL5734111

COc1ccc([C@H]2CCCC[C@H]2NC(=O)c2ccc(C(=O)CC3CC3)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
PDE4B Q07343 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
MEN1 O00255 1/20 0.42
ALPL P05186 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 2/20 0.41
MAPK14 Q16539 1/20 0.41
SPTLC2 O15270 5/20 0.41
SSTR3 P32745 1/20 0.40

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
SCHEMBL5734103 1.00 TAS1R3 (0.47) TAS1R3TAS1R1PDE4BPDE4APDE4C
SCHEMBL5734639 0.89 TAS1R3 (0.48) TAS1R3TAS1R1PDE4BMEN1ALPL
SCHEMBL5734634 0.89 TAS1R3 (0.48) TAS1R3TAS1R1PDE4BMEN1ALPL
SCHEMBL5736260 0.87 TAS1R3 (0.46) TAS1R3TAS1R1PDE4BPDE4APDE4C
SCHEMBL5736256 0.87 TAS1R3 (0.46) TAS1R3TAS1R1PDE4BPDE4APDE4C
SCHEMBL7204083 0.86 TAS1R3 (0.51) TAS1R3TAS1R1PDE4BPDE4APDE4C
SCHEMBL5053376 0.86 TAS1R3 (0.51) TAS1R3TAS1R1PDE4BPDE4APDE4C
SCHEMBL5737318 0.86 TAS1R3 (0.51) TAS1R3TAS1R1PDE4BPDE4APDE4C
SCHEMBL7402512 0.85 MCHR1 (0.52) TAS1R3TAS1R1PDE4BPDE4APDE4C
SCHEMBL7402511 0.85 MCHR1 (0.52) TAS1R3TAS1R1PDE4BPDE4APDE4C

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