SCHEMBL20141443

SCHEMBL20141443

Cc1cc(C)c(N(c2ccccc2C#N)C2CCNCC2)cc1C(=O)NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.45
RPTOR Q8N122 6/20 0.45
MLST8 Q9BVC4 6/20 0.45
DRD4 P21917 5/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 2/20 0.37
KDM1A O60341 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP3K5 Q99683 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR2A P28223 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
NPY5R Q15761 1/20 0.35
HTR4 Q13639 1/20 0.35

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
SCHEMBL20140898 0.81 SLC6A4 (0.41) MEN1KMT2ACYP2D6
SCHEMBL20141029 0.80 SLC6A2 (0.38) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL20141054 0.79 MTOR (0.48) MTORRPTORMLST8ALDH1A1SMN1; SMN2
SCHEMBL20133681 0.78 MTOR (0.65) MTORRPTORMLST8DRD4DRD2
SCHEMBL20141216 0.76 SLC6A2 (0.38)
SCHEMBL20141214 0.76 SLC6A2 (0.38)
SCHEMBL20141181 0.75 SLC6A4 (0.41) MEN1KMT2ACYP2D6
SCHEMBL20149880 0.75 MTOR (0.62) MTORRPTORMLST8DRD4DRD2
SCHEMBL20141038 0.75 KCNH2 (0.37) ALDH1A1KDM4ECYP2D6SMN1; SMN2
SCHEMBL20141036 0.75 KCNH2 (0.37) ALDH1A1KDM4ECYP2D6SMN1; SMN2

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