SCHEMBL5734166

SCHEMBL5734166

COc1ccc(C2CCCCC2NC(=O)c2cccc(Oc3ccncc3)c2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
NPC1 O15118 2/20 0.45
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
TAS1R2 Q8TE23 1/20 0.43
ROCK2 O75116 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
HCRTR1 O43613 1/20 0.40
PDE4B Q07343 1/20 0.40
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
GRM5 P41594 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5734163 1.00 PKM (0.48) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5733720 0.92 PKM (0.57) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5733718 0.92 PKM (0.57) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5735590 0.92 PKM (0.51) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5735591 0.92 PKM (0.51) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5735217 0.84 MMP2 (0.55) PKMTAS1R3TAS1R1PDE4B
SCHEMBL5735222 0.84 MMP2 (0.55) PKMTAS1R3TAS1R1PDE4B
SCHEMBL5734379 0.83 TAS1R3 (0.45) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5734374 0.83 TAS1R3 (0.45) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5063703 0.82 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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