SCHEMBL7986640

SCHEMBL7986640

Cc1nc(-c2cccc(CN3CCN(S(=O)(=O)c4cccc5ccccc45)CC3=O)c2)no1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.45
HCRTR2 O43614 4/20 0.45
MET P08581 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
LMNA P02545 4/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 4/20 0.41
THRB P10828 1/20 0.40
F10 P00742 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F2 P00734 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL7999726 0.91 FNTA (0.43) HCRTR1HCRTR2FNTAFNTBLMNA
SCHEMBL7996149 0.88 HCRTR1 (0.46) HCRTR1HCRTR2METLMNATP53
SCHEMBL8000009 0.83 LMNA (0.44) HCRTR1HCRTR2METLMNATP53
SCHEMBL7999738 0.82 F10 (0.47) HCRTR1HCRTR2LMNATP53MAPT
SCHEMBL8000074 0.82 LMNA (0.42) HCRTR1HCRTR2LMNAMAPTTHRB
SCHEMBL7996031 0.81 HCRTR1 (0.47) HCRTR1HCRTR2LMNATP53MAPT
SCHEMBL7986759 0.80 MAPT (0.42) HCRTR1HCRTR2LMNATP53MAPT
SCHEMBL7996147 0.79 LMNA (0.42) LMNATP53MAPTTHRBF10
SCHEMBL7997639 0.79 L3MBTL1 (0.45) LMNATP53MAPTF10L3MBTL1
SCHEMBL7996072 0.78 LMNA (0.46) LMNATP53MAPTF10MEN1

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-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed