SCHEMBL11200487

SCHEMBL11200487

Nc1ccc(CCCCC[C]=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.55
GFER P55789 1/20 0.50
MAOA P21397 2/20 0.43
HTR2A P28223 2/20 0.42
RECQL P46063 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP19A1 P11511 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CA2 P00918 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 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
SCHEMBL3046943 0.92 GFER (0.54) MAOBGFERMAOAHTR2ARECQL
SCHEMBL692408 0.83 GFER (0.59) MAOBGFERMAOARECQLALDH1A1
SCHEMBL4021564 0.82 MAOB (0.76) MAOBGFERMAOAHTR2ARECQL
SCHEMBL4016540 0.82 MAOB (0.76) MAOBGFERMAOAHTR2ARECQL
SCHEMBL4020173 0.82 MAOB (0.76) MAOBGFERMAOAHTR2ARECQL
SCHEMBL4020067 0.82 MAOB (0.76) MAOBGFERMAOAHTR2ARECQL
SCHEMBL4016462 0.82 MAOB (0.76) MAOBGFERMAOAHTR2ARECQL
SCHEMBL20251158 0.82 MAOB (0.76) MAOBGFERMAOAHTR2ARECQL
SCHEMBL4022346 0.82 MAOB (0.76) MAOBGFERMAOAHTR2ARECQL
SCHEMBL12110719 0.80 MAOB (0.73) MAOBGFERMAOAHTR2ARECQL

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
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed