SCHEMBL20139352

SCHEMBL20139352

COCN(CCCc1ccccc1N1CCN(Cc2cc(C(=O)N3CCN(c4ccccc4C)CC3)n(C)c2C)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.41
RPTOR Q8N122 6/20 0.41
MLST8 Q9BVC4 6/20 0.41
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AR P10275 1/20 0.36
HTR7 P34969 1/20 0.36
MEN1 O00255 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
SCHEMBL20154262 0.84 MTOR (0.48) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20139831 0.79 MTOR (0.42) MTORRPTORMLST8HTR1AHTR1D
SCHEMBL20159096 0.75 MTOR (0.60) MTORRPTORMLST8MAPTLMNA
SCHEMBL20141640 0.74 HTR1A (0.40) HTR1AMAPTLMNAHTR7
SCHEMBL20142546 0.72 MTOR (0.40) MTORRPTORMLST8HTR1AALDH1A1
SCHEMBL20142371 0.72 MTOR (0.40) MTORRPTORMLST8HTR1AALDH1A1
SCHEMBL20142226 0.70 BRPF1 (0.35) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL20157121 0.70 CHRM1 (0.41) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20159082 0.69 MTOR (0.75) MTORRPTORMLST8HTR1AHTR1D
SCHEMBL20157154 0.69 MTOR (0.45) MTORRPTORMLST8HTR1AALDH1A1

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