SCHEMBL7389136

SCHEMBL7389136

Cc1nc(-c2ccc(N3CC(CN4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)OC3=O)cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.46
THRB P10828 1/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.44
F10 P00742 1/20 0.42
GRM5 P41594 2/20 0.42
HTR7 P34969 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LSS P48449 2/20 0.41
GRM2 Q14416 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 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
SCHEMBL7381271 0.93 SIGMAR1 (0.46) SIGMAR1THRBMAPTLMNAF10
SCHEMBL7383868 0.93 THRB (0.44) SIGMAR1THRBMAPTLMNAF10
SCHEMBL7389681 0.92 THRB (0.46) SIGMAR1THRBMAPTLMNAF10
SCHEMBL7384895 0.92 THRB (0.44) SIGMAR1THRBMAPTLMNAF10
SCHEMBL7388548 0.92 MAPT (0.45) SIGMAR1THRBMAPTLMNAGRM5
SCHEMBL7386967 0.91 MAPT (0.44) SIGMAR1THRBMAPTLMNAF10
SCHEMBL7388713 0.91 THRB (0.46) SIGMAR1THRBMAPTLMNAF10
SCHEMBL7388647 0.90 MAPT (0.48) SIGMAR1THRBMAPTLMNAGRM5
SCHEMBL7380241 0.90 THRB (0.46) THRBMAPTLMNAGRM2POLB
SCHEMBL7386639 0.90 POLB (0.53) SIGMAR1MAPTPOLB

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