SCHEMBL5733686

SCHEMBL5733686

COc1cccc(C(=O)c2ccc(C(=O)NC3CCCCC3c3ccc(OC)c(OC)c3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GRM5 P41594 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
TSHR P16473 1/20 0.42
PDE5A O76074 1/20 0.41
HCRTR1 O43613 1/20 0.41
MCHR1 Q99705 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41

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
SCHEMBL5733689 1.00 TACR1 (0.45) TACR1ALDH1A1TAS1R3TAS1R1GAA
SCHEMBL5733895 0.91 TACR1 (0.51) TACR1ALDH1A1TAS1R3TAS1R1GAA
SCHEMBL5733889 0.91 TACR1 (0.51) TACR1ALDH1A1TAS1R3TAS1R1GAA
SCHEMBL5733789 0.91 ALDH1A1 (0.52) TACR1ALDH1A1TAS1R3TAS1R1GAA
SCHEMBL5733787 0.91 ALDH1A1 (0.52) TACR1ALDH1A1TAS1R3TAS1R1GAA
SCHEMBL5735667 0.89 GRM5 (0.48) TACR1TAS1R3TAS1R1GRM5NPC1
SCHEMBL5735669 0.89 GRM5 (0.48) TACR1TAS1R3TAS1R1GRM5NPC1
SCHEMBL5734799 0.89 TACR1 (0.49) TACR1ALDH1A1TAS1R3TAS1R1GAA
SCHEMBL5734789 0.89 TACR1 (0.49) TACR1ALDH1A1TAS1R3TAS1R1GAA
SCHEMBL5735591 0.86 PKM (0.51) ALDH1A1TAS1R3TAS1R1GAAMEN1

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