SCHEMBL14051069

SCHEMBL14051069

CN1CC(C=O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
NOTUM Q6P988 1/20 0.38
BRD4 O60885 2/20 0.36
CCKBR P32239 1/20 0.35
HRH1 P35367 2/20 0.35
HTR6 P50406 2/20 0.35
PAX8 Q06710 1/20 0.35
GPR3 P46089 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
HTR2A P28223 2/20 0.33
LMNA P02545 2/20 0.33
ACHE P22303 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL27500006 0.82 KDM4C (0.38) NOTUMHRH1HTR6GPR3HDAC4
SCHEMBL13759056 0.81 MTNR1A (0.35) MTNR1AMTNR1BNOTUMBRD4CCKBR
SCHEMBL1104628 0.79 MTNR1A (0.34) MTNR1AMTNR1BNOTUMBRD4CCKBR
SCHEMBL27741771 0.79 NOTUM (0.39) MTNR1AMTNR1BNOTUMBRD4CCKBR
SCHEMBL2606493 0.76 HRH1 (0.43) MTNR1AMTNR1BCCKBRHRH1HTR6
SCHEMBL14543698 0.76 NOTUM (0.64) NOTUMBRD4HTR2AHTR1ADRD2
SCHEMBL8264301 0.75 CACNA1G (0.33) NOTUMBRD4LMNAKDM4EOPRM1
SCHEMBL8261724 0.74 CYP2C9 (0.40) LMNAKDM4EMEN1CYP1A2CYP3A4
SCHEMBL19387437 0.73 ENPP2 (0.33) KDM4E
SCHEMBL27787296 0.73 HRH1 (0.32) NOTUMHRH1HTR6GPR3HDAC4

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
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP disclosed