SCHEMBL20140648

SCHEMBL20140648

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2=O)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
RET P07949 2/20 0.40
DRD4 P21917 6/20 0.39
DRD2 P14416 5/20 0.39
DRD3 P35462 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR2A P28223 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.38
TRPC5 Q9UL62 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
PMP22 Q01453 1/20 0.38

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
SCHEMBL20140733 0.89 KDM4E (0.48) PRMT5WDR77RETDRD4DRD2
SCHEMBL20140096 0.89 PARP1 (0.45) PRMT5WDR77DRD4DRD2DRD3
SCHEMBL20140667 0.86 TRPC5 (0.42) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20139955 0.84 KDM4E (0.52) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20157255 0.82 MTOR (0.40) KDM4EALDH1A1CYP46A1LMNAMTOR
SCHEMBL20140336 0.76 MAPT (0.47) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20156995 0.76 TRPC5 (0.46) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20140725 0.76 MTOR (0.47) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20140513 0.76 DRD4 (0.41) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20139967 0.76 NAMPT (0.48) DRD4DRD2DRD3KDM4EALDH1A1

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