SCHEMBL7389977

SCHEMBL7389977

Cc1nc(-c2ccc(N3CC(CN4CCN(S(=O)(=O)c5ccc(F)cc5Cl)CC4)OC3=O)cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
LMNA P02545 2/20 0.44
SIGMAR1 Q99720 7/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
F10 P00742 2/20 0.40
GRM5 P41594 2/20 0.38
DGAT1 O75907 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
SCHEMBL7389109 0.89 THRB (0.51) THRBLMNASIGMAR1MAPT
SCHEMBL7388914 0.87 THRB (0.46) THRBLMNASIGMAR1MAPTDGAT1
SCHEMBL7386967 0.87 MAPT (0.44) THRBLMNASIGMAR1MAPTF10
SCHEMBL7388632 0.86 THRB (0.46) THRBLMNASIGMAR1MAPT
SCHEMBL7389681 0.86 THRB (0.46) THRBLMNASIGMAR1MAPTF10
SCHEMBL7389428 0.85 THRB (0.45) THRBLMNASIGMAR1MAPTDGAT1
SCHEMBL7389136 0.85 SIGMAR1 (0.46) THRBLMNASIGMAR1MAPTF10
SCHEMBL7592402 0.85 MAPT (0.46) THRBLMNASIGMAR1MAPT
SCHEMBL7388647 0.84 MAPT (0.48) THRBLMNASIGMAR1MAPTGRM5
SCHEMBL7387950 0.84 THRB (0.45) THRBSIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056743-A1 BENZAMINE DERIVATIVES MERCK PATENT GmbH (DE) 2000-12-06 EP disclosed
WO-1999031092-A1 BENZAMINE DERIVATIVES MERCK PATENT GMBH (DE) 1999-06-24 WO disclosed