SCHEMBL7474864

SCHEMBL7474864

CCOC(=O)CC(NC(=O)CCN1CCN(c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)C1=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.39
SIGMAR1 Q99720 5/20 0.39
SLC6A2 P23975 2/20 0.39
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1E P28566 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NR1H2 P55055 1/20 0.35
TP53 P04637 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL7469768 0.90 MAPT (0.41) TMEM97SIGMAR1SLC6A2HRH2HRH1
SCHEMBL7468291 0.90 NR1H2 (0.38) TMEM97SIGMAR1SLC6A2HRH2HRH1
SCHEMBL7478252 0.84 ITGB3 (0.47)
SCHEMBL7468971 0.84 ITGB3 (0.42) MAPTNR1H2JAK2JAK3PTK2
SCHEMBL7480246 0.83 ALDH1A1 (0.40) TMEM97SIGMAR1SLC6A2HRH2HRH1
SCHEMBL7473247 0.79 NR1H2 (0.47) TMEM97SIGMAR1LMNAMAPTNR1H2
SCHEMBL7481405 0.79 NR1H2 (0.42) LMNAMAPTNR1H2SMN1; SMN2GPR119
SCHEMBL7465981 0.78 NR1H2 (0.40) TMEM97SIGMAR1SLC6A2HRH2HRH1
SCHEMBL7419930 0.74 NR1H2 (0.49) TMEM97SIGMAR1LMNAMAPTNR1H2
Trifluoroacetic Acid SCHEMBL7475604 0.74 DRD2 (0.34) TMEM97SIGMAR1SLC6A2HRH2HRH1

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-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO disclosed