SCHEMBL20139786

SCHEMBL20139786

CC(c1cc(C(=O)N2CCN(c3ccccc3)CC2)n(C)c1)N1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.51
RPTOR Q8N122 2/20 0.51
MLST8 Q9BVC4 2/20 0.51
POLB P06746 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
AKR1C3 P42330 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL20159024 0.79 MTOR (0.64) MTORRPTORMLST8POLBKMT2A
SCHEMBL20159282 0.75 MTOR (0.48) MTORRPTORMLST8KMT2AMEN1
SCHEMBL20140717 0.73 KMT2A (0.49) MTORRPTORMLST8POLBKMT2A
SCHEMBL20159115 0.72 MTOR (0.55) MTORRPTORMLST8POLBSMN1; SMN2
SCHEMBL20140555 0.71 MTOR (0.78) MTORRPTORMLST8POLBKMT2A
SCHEMBL20159302 0.70 TP53 (0.53) POLBKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL20139683 0.70 KMT2A (0.51) POLBKMT2AMEN1THRBLMNA
SCHEMBL20158902 0.70 MTOR (0.57) MTORRPTORMLST8KMT2AMEN1
SCHEMBL20159018 0.69 MTOR (0.59) MTORRPTORMLST8SMN1; SMN2DRD2
SCHEMBL20159079 0.69 MTOR (0.52) MTORRPTORMLST8POLBLMNA

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
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed