SCHEMBL7999738

SCHEMBL7999738

Cc1nc(-c2cccc(CN3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3=O)c2)no1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.47
LMNA P02545 5/20 0.46
TP53 P04637 1/20 0.46
GRM5 P41594 5/20 0.45
MAPT P10636 2/20 0.44
LSS P48449 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL7996075 0.92 F10 (0.48) F10LMNATP53MAPTSMN1; SMN2
SCHEMBL7999821 0.91 F10 (0.48) F10LMNATP53GRM5MAPT
SCHEMBL7996031 0.90 HCRTR1 (0.47) F10LMNATP53MAPTHCRTR1
SCHEMBL7986948 0.89 GRM5 (0.45) LMNATP53GRM5MAPTLSS
SCHEMBL7996149 0.89 HCRTR1 (0.46) LMNATP53GRM5MAPTLSS
SCHEMBL8000009 0.88 LMNA (0.44) F10LMNATP53GRM5MAPT
SCHEMBL8000061 0.87 HCRTR1 (0.43) F10LMNATP53MAPTHCRTR1
SCHEMBL7996072 0.86 LMNA (0.46) F10LMNATP53MAPTSMN1; SMN2
SCHEMBL7996147 0.86 LMNA (0.42) F10LMNATP53MAPTSMN1; SMN2
SCHEMBL7986759 0.83 MAPT (0.42) F10LMNATP53GRM5MAPT

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