SCHEMBL28779443

SCHEMBL28779443

CCC(=O)N1CCC[C@H]1c1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 7/20 0.38
GCK P35557 1/20 0.38
HTR2B P41595 3/20 0.37
KDM4E B2RXH2 1/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
CPT2 P23786 2/20 0.35
CPT1A P50416 2/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL27780282 0.86 GRM5 (0.44) HTR2B
SCHEMBL24015824 0.86 HTR2B (0.40) GCKHTR2B
SCHEMBL27758908 0.85 PREP (0.38) PRCPHTR2BKDM4ECPT2CPT1A
SCHEMBL1293292 0.83 HTR2B (0.42) PRCPHTR2B
SCHEMBL934063 0.83 HTR2B (0.42) PRCPHTR2B
SCHEMBL27758911 0.81 AADAT (0.49) PRCPHTR2BKDM4E
SCHEMBL25591844 0.81 RIPK1 (0.53) PRCPHTR2B
SCHEMBL47019 0.79 ALDH1A1 (0.46) KDM4E
SCHEMBL239739 0.79 ALDH1A1 (0.46) KDM4E
SCHEMBL34474164 0.79 ALDH1A1 (0.46) KDM4E

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
CN-101558059-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-12-03 CN claimed
CN-101558059-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-10-14 CN claimed