SCHEMBL20140733

SCHEMBL20140733

COC(=O)c1cc(CN2CCN(c3ccccc3C#N)CC2=O)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
DRD4 P21917 5/20 0.40
DRD3 P35462 3/20 0.39
DRD2 P14416 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
BDKRB1 P46663 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL20140648 0.89 PRMT5 (0.42) KDM4EALDH1A1PRMT5WDR77DRD4
SCHEMBL20140513 0.87 DRD4 (0.41) KDM4EALDH1A1NPSR1DRD4DRD3
SCHEMBL20140096 0.87 PARP1 (0.45) KDM4EALDH1A1PRMT5WDR77DRD4
SCHEMBL20157255 0.80 MTOR (0.40) KDM4EALDH1A1HPGDLMNA
SCHEMBL20141292 0.78 BDKRB1 (0.47) KDM4EALDH1A1NPSR1DRD4DRD3
SCHEMBL20140667 0.76 TRPC5 (0.42) KDM4EALDH1A1DRD4DRD3DRD2
SCHEMBL20139958 0.74 NAMPT (0.53) KDM4EALDH1A1DRD4DRD3DRD2
SCHEMBL20156995 0.74 TRPC5 (0.46) KDM4EALDH1A1DRD4DRD3DRD2
SCHEMBL20139955 0.74 KDM4E (0.52) KDM4EALDH1A1NPSR1DRD4DRD3
SCHEMBL20139967 0.74 NAMPT (0.48) KDM4EALDH1A1DRD4DRD3DRD2

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed