SCHEMBL7995311

SCHEMBL7995311

COc1cccc(CC2=CC=C(OCc3ccccc3)CN2)c1O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
MAOB P27338 1/20 0.42
IDO1 P14902 1/20 0.41
BCHE P06276 11/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MRGPRX4 Q96LA9 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
SCHEMBL7995089 0.79 HTT (0.54) CALM1MAOBHTTL3MBTL1
SCHEMBL9771763 0.74 CALM1 (0.69) CALM1IDO1KDM4E
SCHEMBL7998680 0.73 HTT (0.48) HTT
SCHEMBL7998683 0.72 HTT (0.53) MAOBBCHEHTT
SCHEMBL7992008 0.72 HTT (0.47) MAOBHTTL3MBTL1KDM4E
SCHEMBL7995327 0.71 HTT (0.46) HTT
SCHEMBL7995324 0.69 HTT (0.55) MAOBHTTL3MBTL1
SCHEMBL8680676 0.67 ALOX5 (0.61) CALM1IDO1KDM4E
SCHEMBL10470441 0.66 ALDH1A1 (0.62) CALM1IDO1HTTKDM4E
SCHEMBL5940740 0.64 HTR1A (0.54) L3MBTL1KDM4E

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