SCHEMBL20140513

SCHEMBL20140513

COC(=O)c1cc(CN2CCN(c3ccccc3C#N)CC2=O)c(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.41
DRD3 P35462 3/20 0.41
DRD2 P14416 2/20 0.41
TRPC5 Q9UL62 6/20 0.41
HTR2A P28223 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 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
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.38
DPP4 P27487 1/20 0.38
HTR1A P08908 3/20 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
SCHEMBL20140667 0.89 TRPC5 (0.42) DRD4DRD3DRD2TRPC5HTR2A
SCHEMBL20140725 0.87 MTOR (0.47) DRD4DRD3DRD2TRPC5HTR2A
SCHEMBL20140733 0.87 KDM4E (0.48) DRD4DRD3DRD2HTR2AKDM4E
SCHEMBL20157267 0.85 DRD4 (0.52) DRD4DRD3DRD2HTR2AKDM4E
SCHEMBL20139965 0.80 DRD4 (0.41) DRD4DRD3DRD2HTR2AKDM4E
SCHEMBL20140542 0.80 DRD4 (0.50) DRD4DRD3DRD2HTR2AKDM4E
SCHEMBL20139967 0.79 NAMPT (0.48) DRD4DRD3DRD2TRPC5HTR2A
SCHEMBL20157462 0.79 KDM4E (0.40) DRD4DRD3DRD2HTR2AKDM4E
SCHEMBL20140103 0.78 MTOR (0.46) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL20139884 0.78 BDKRB1 (0.47) DRD4DRD3DRD2HTR2AKDM4E

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