SCHEMBL5776914

SCHEMBL5776914

COc1cccc2c([C@@H](O)CN3CCN(CCc4nc5c(F)cccc5[nH]4)CC3)ccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
SLC40A1 Q9NP59 5/20 0.37
ADRA1B P35368 3/20 0.37
DRD2 P14416 2/20 0.37
ADRA2B P18089 2/20 0.37
DRD1 P21728 2/20 0.37
HTR2A P28223 2/20 0.37
HRH1 P35367 2/20 0.37
OPRK1 P41145 2/20 0.37
HTR2B P41595 2/20 0.37
KCNH2 Q12809 2/20 0.37
HTR2C P28335 1/20 0.37
KCNQ1 P51787 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SLC2A1 P11166 2/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 4/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL5773715 0.88 SLC2A1 (0.39) MEN1KMT2AL3MBTL1ADRA1BDRD2
SCHEMBL5778145 0.85 SLC2A1 (0.47) MEN1KMT2AKCNH2SLC2A1HTR1A
SCHEMBL5774577 0.85 SLC2A1 (0.49) L3MBTL1KCNH2SLC2A1LMNAHTT
SCHEMBL5775479 0.78 SLC2A1 (0.48) KCNH2SLC2A1
SCHEMBL5774194 0.77 SLC2A1 (0.49) KCNH2SLC2A1HTR1A
SCHEMBL6626086 0.76 HTR1A (0.47) MEN1KMT2AADRA1BDRD2ADRA2B
SCHEMBL5760090 0.76 ABCB1 (0.47) ADRA1BDRD2TMEM97LMNAKDM4E
SCHEMBL5778323 0.74 SLC2A1 (0.49) KCNH2SLC2A1
SCHEMBL5772802 0.74 SLC2A1 (0.48) MEN1KMT2ADRD2KCNH2SLC2A1
SCHEMBL5777034 0.73 HTR1A (0.49) MEN1KMT2AADRA1BDRD2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP claimed