SCHEMBL20141423

SCHEMBL20141423

Cc1nc(C)c(CC2CCN(c3ccccc3C#N)CC2)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.40
PHGDH O43175 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
DPP4 P27487 1/20 0.38
HTT P42858 1/20 0.38
ADAM17 P78536 1/20 0.37
CHRM4 P08173 1/20 0.37
MTOR P42345 1/20 0.37
RPTOR Q8N122 1/20 0.37
MLST8 Q9BVC4 1/20 0.37
DRD3 P35462 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GRM2 Q14416 1/20 0.36
DRD2 P14416 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL20139913 0.80 DRD4 (0.47) DRD4PHGDHDRD3KDM4EDRD2
SCHEMBL20140843 0.78 MTOR (0.44) DRD4PHGDHMTORRPTORMLST8
SCHEMBL20140782 0.72 CHRM4 (0.44) DRD4LMNAADAM17CHRM4MTOR
SCHEMBL7519811 0.70 CHRM4 (0.45) DRD4CHRM4DRD3KDM4EDRD2
SCHEMBL8222584 0.70 CHRM4 (0.46) DRD4CHRM4DRD3KDM4EGRM2
SCHEMBL7520833 0.70 CHRM4 (0.49) DRD4ADAM17CHRM4DRD3KDM4E
SCHEMBL30163903 0.70 CHRM4 (0.46) DRD4CHRM4DRD3KDM4EGRM2
SCHEMBL20139884 0.70 BDKRB1 (0.47) DRD4DPP4ADAM17CHRM4MTOR
SCHEMBL15831837 0.68 FFAR4 (0.54) LMNATSHRHSD17B10L3MBTL1HTT
SCHEMBL24986864 0.68 DRD4 (0.42) DRD4DPP4CHRM4DRD3GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed