SCHEMBL7993157

SCHEMBL7993157

C1=CNCC(OCc2ccccc2)=C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 1/20 0.38
MAOB P27338 5/20 0.37
MAOA P21397 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7995324 0.71 HTT (0.55) HTTSLC6A2SLC6A3LMNACYP1A2
SCHEMBL7995089 0.70 HTT (0.54) HTTSLC6A2SLC6A3LMNACYP1A2
SCHEMBL7998683 0.69 HTT (0.53) HTTSLC6A2SLC6A3LMNACYP1A2
SCHEMBL2975670 0.68 HTT (0.47) HTTSLC6A2SLC6A3LMNACYP1A2
SCHEMBL10693246 0.68 HTT (0.51) HTTSLC6A2SLC6A3LMNACYP1A2
SCHEMBL2491022 0.68 HTT (0.41) HTTSLC6A2SLC6A3LMNACYP1A2
SCHEMBL23070558 0.67 HTT (0.40) HTTSLC6A2SLC6A3LMNACYP1A2
SCHEMBL12180835 0.67 HTT (0.40) HTTSLC6A2SLC6A3LMNACYP1A2
SCHEMBL14305067 0.66 HTT (0.49) HTTSLC6A2SLC6A3LMNACYP1A2
SCHEMBL10351845 0.64 HTT (0.47) HTTSLC6A2SLC6A3LMNACYP1A2

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
WO-2001009129-A2 1H-PIRIDO[3, 4-B]INDOL-1-ONE DERIVATIVES NOVUSPHARMA S.P.A. (IT) 2001-02-08 WO disclosed