SCHEMBL5772852

SCHEMBL5772852

CC(C)(C)OC(=O)N1CCC(CCC(=O)NCc2cccnc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.60
CYP3A4 P08684 4/20 0.56
GPR119 Q8TDV5 3/20 0.53
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
MAPT P10636 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
TSHR P16473 1/20 0.48
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47

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
SCHEMBL5777274 0.91 NAMPT (0.61) NAMPTCYP3A4GPR119ALDH1A1KDM4E
SCHEMBL8702720 0.85 NAMPT (0.61) NAMPTCYP3A4GPR119ALDH1A1KDM4E
SCHEMBL7496204 0.84 KEAP1 (0.58) CYP3A4GPR119KDM4EPKMCYP2C9
SCHEMBL2280397 0.83 GPR119 (0.61) NAMPTCYP3A4GPR119MAPTKDM4E
SCHEMBL4325703 0.82 GPR119 (0.58) NAMPTGPR119KDM4EPKMKEAP1
SCHEMBL13398040 0.82 NAMPT (0.60) NAMPTGPR119MAPTALDH1A1KDM4E
SCHEMBL29223348 0.81 KMT2A (0.62) GPR119KDM4EPKMCYP2C19
SCHEMBL2185875 0.81 GPR119 (0.56) NAMPTCYP3A4GPR119KDM4EPKM
SCHEMBL5762340 0.80 GPR119 (0.58) NAMPTGPR119ALDH1A1KDM4EPKM
SCHEMBL23791367 0.79 GPR119 (0.59) NAMPTGPR119MAPTKDM4EPKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931078-B1 NOVEL TRICYCLIC PIPERIDINYL COMPOUNDS USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2006-11-15 EP disclosed
US-5965570-A PHARMACEUTICAL COMPOSITIONS FOR INHIBITING THE ABNORMAL GROWTH OF CELLS; ADMINISTERING TO INHIBIT TUMOR CELLS WHEREIN THE RAS PROTEIN IS ACTIVATED AS A RESULT OF ONCOGENIC MUTATION IN GENES OTHER THAN THE RAS GENE SCHERING CORPORATION (US) 1999-10-12 US disclosed
EP-0931078-A1 NOVEL TRICYCLIC PIPERIDINYL COMPOUNDS USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1999-07-28 EP disclosed
WO-1998011098-A1 NOVEL TRICYCLIC PIPERIDINYL COMPOUNDS USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-03-19 WO disclosed