SCHEMBL7570176

SCHEMBL7570176

O=C(O)C(=O)C1CNc2ccc(Cl)cc2C(c2ccccc2)=N1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
ALB P02768 1/20 0.54
KMT2A Q03164 1/20 0.54
CHRM1 P11229 12/20 0.49
CNR1 P21554 1/20 0.47
NTSR1 P30989 1/20 0.47
OPRK1 P41145 1/20 0.47
PDE4D Q08499 1/20 0.47
CCKBR P32239 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7572862 0.81 MEN1 (0.52) MEN1LMNAALBKMT2ACHRM1
SCHEMBL27734281 0.81 LMNA (0.60) MEN1LMNAALBKMT2ACHRM1
SCHEMBL11684302 0.80 CHRM1 (0.62) MEN1LMNAALBKMT2ACHRM1
SCHEMBL28926564 0.78 MEN1 (0.51) MEN1LMNAALBKMT2ACHRM1
SCHEMBL28297259 0.75 CHRM1 (0.68) MEN1LMNAALBKMT2ACHRM1
SCHEMBL11276666 0.74 CHRM1 (0.53) MEN1LMNAALBKMT2ACHRM1
SCHEMBL11276681 0.74 CHRM1 (0.53) MEN1LMNAALBKMT2ACHRM1
SCHEMBL28297190 0.74 CHRM1 (0.64) MEN1LMNAALBKMT2ACHRM1
SCHEMBL27734282 0.73 LMNA (0.49) MEN1LMNAALBKMT2ACHRM1
SCHEMBL25409766 0.73 CHRM1 (0.54) MEN1LMNAALBKMT2ACHRM1

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-1210338-A2 1,4-DIAZEPINE DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE CENTRAL NERVOUS SYSTEM IGT Pharma Inc. (CA) 2002-06-05 EP disclosed
WO-2001010846-A2 1,4-DIAZEPINE DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE CENTRAL NERVOUS SYSTEM IGT PHARMA INC. (CA) 2001-02-15 WO disclosed