SCHEMBL20156995

SCHEMBL20156995

Cc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1CN1CCN(c2ccccc2C#N)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 8/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PLA2G1B P04054 1/20 0.43
RAB9A P51151 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
DRD2 P14416 3/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 1/20 0.42
HTR1A P08908 2/20 0.42
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MTOR P42345 1/20 0.40
RPTOR Q8N122 1/20 0.40
MLST8 Q9BVC4 1/20 0.40

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
SCHEMBL20140902 0.80 HTR7 (0.48) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL20141745 0.79 DRD4 (0.49) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL20139967 0.78 NAMPT (0.48) TRPC5KDM4EALDH1A1DRD2DRD4
SCHEMBL20156931 0.77 MTOR (0.51) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL20140648 0.76 PRMT5 (0.42) TRPC5KDM4EALDH1A1DRD2DRD4
SCHEMBL20140096 0.76 PARP1 (0.45) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL20140759 0.76 KDM4E (0.56) KDM4EALDH1A1PLA2G1BRAB9AATG4B
SCHEMBL20140640 0.76 KDM4E (0.56) KDM4EALDH1A1PLA2G1BRAB9AATG4B
SCHEMBL20141481 0.76 KDM4E (0.51) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL20140667 0.74 TRPC5 (0.42) TRPC5KDM4EALDH1A1DRD2DRD4

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