SCHEMBL7986948

SCHEMBL7986948

Cc1nc(-c2cccc(CN3C(=O)CN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3=O)c2)no1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.45
LMNA P02545 4/20 0.44
TP53 P04637 1/20 0.44
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
MAPT P10636 3/20 0.44
MET P08581 1/20 0.43
SLC6A4 P31645 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNA7 P36544 1/20 0.40
LSS P48449 1/20 0.40

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
SCHEMBL7999733 0.92 MAPT (0.44) GRM5LMNATP53MAPTPOLB
SCHEMBL7999738 0.89 F10 (0.47) GRM5LMNATP53HCRTR1HCRTR2
SCHEMBL8003154 0.88 HCRTR1 (0.47) LMNATP53HCRTR1HCRTR2MAPT
SCHEMBL7999952 0.82 LMNA (0.43) LMNATP53MAPTMEN1KMT2A
SCHEMBL7996075 0.81 F10 (0.48) LMNATP53MAPTPOLB
SCHEMBL7997616 0.80 MAPT (0.45) LMNATP53MAPTPOLBMEN1
SCHEMBL7999821 0.80 F10 (0.48) GRM5LMNATP53MAPT
SCHEMBL7996031 0.79 HCRTR1 (0.47) LMNATP53HCRTR1HCRTR2MAPT
SCHEMBL7076926 0.77 LSS (0.52) LMNATP53MAPTPOLBLSS
SCHEMBL7996149 0.77 HCRTR1 (0.46) GRM5LMNATP53HCRTR1HCRTR2

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