SCHEMBL9828866

SCHEMBL9828866

Cc1ccnc2c(CO)cccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.58
COPS5 Q92905 2/20 0.58
CCR1 P32246 3/20 0.55
CCR8 P51685 3/20 0.55
CCR5 P51681 2/20 0.55
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 3/20 0.49
SLC6A2 P23975 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.47
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL3272867 0.85 PSMD14 (0.58) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL16938252 0.84 PSMD14 (0.56) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL12564835 0.81 CCR1 (0.67) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL28534276 0.80 PSMD14 (0.51) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL2607397 0.78 PSMD14 (0.68) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL28165068 0.78 LMNA (0.66) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL16111888 0.78 KDM4E (0.52) CCR1CCR8KDM4ELMNATP53
SCHEMBL1187430 0.77 HTT (0.72) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL29403673 0.77 HTT (0.72) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL15863887 0.76 HTT (0.70) PSMD14COPS5CCR1CCR8CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239129-B1 HYDROQUINOLINE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed
US-4963566-A ANTIULCER AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
EP-0239129-A2 Hydroquinoline compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-30 EP disclosed