SCHEMBL5239727

SCHEMBL5239727

CCOc1cccc2c(C)ccnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.59
COPS5 Q92905 2/20 0.59
CCR1 P32246 2/20 0.52
CCR5 P51681 2/20 0.52
CCR8 P51685 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HTR1A P08908 3/20 0.46
ADRA1D P25100 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
ADORA2B P29275 1/20 0.46
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 2/20 0.42
SLC6A2 P23975 1/20 0.42
HTT P42858 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
SCHEMBL18029399 0.86 PSMD14 (0.59) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL16133354 0.85 PSMD14 (0.54) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL1337689 0.82 HTR1A (0.61) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL24612894 0.81 KDM4E (0.49) L3MBTL1KMT2AMEN1HTR1AADRA1D
SCHEMBL3691358 0.81 HTR1A (0.45) KMT2AMEN1HTR1AADRA1DADRA1A
SCHEMBL11428540 0.81 NR4A2 (0.53) L3MBTL1KMT2AMEN1HTR1AADRA1D
SCHEMBL10366160 0.81 PSMD14 (0.53) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL16132603 0.81 MAPT (0.56) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL30423646 0.79 PSMD14 (0.54) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL29035107 0.79 PSMD14 (0.54) PSMD14COPS5CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed