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SCHEMBL20139828

SCHEMBL20139828

COC(CCCc1ccccc1N1CCN(Cc2cc(C(=O)N3CCN(c4ccccc4)CC3C)n(C)c2C)CC1)OC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 4/20 0.49
▸ RPTOR Q8N122 4/20 0.49
▸ MLST8 Q9BVC4 4/20 0.49
▸ SCD5 Q86SK9 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL20154261 0.90 MTOR (0.47) MTORRPTORMLST8SCD5NPC1
SCHEMBL20159032 0.87 MTOR (0.57) MTORRPTORMLST8SCD5NPC1
SCHEMBL20159083 0.87 MTOR (0.57) MTORRPTORMLST8SCD5NPC1
SCHEMBL20159033 0.87 MTOR (0.57) MTORRPTORMLST8SCD5NPC1
SCHEMBL20139349 0.86 MTOR (0.47) MTORRPTORMLST8SCD5NPC1
SCHEMBL20139350 0.86 MTOR (0.47) MTORRPTORMLST8SCD5NPC1
SCHEMBL20140150 0.83 MTOR (0.57) MTORRPTORMLST8SCD5NPC1
Trifluoroacetic Acid SCHEMBL20142573 0.83 MTOR (0.55) MTORRPTORMLST8SCD5
Trifluoroacetic Acid SCHEMBL20141728 0.83 MTOR (0.55) MTORRPTORMLST8SCD5
SCHEMBL20139264 0.80 MTOR (0.52) MTORRPTORMLST8SCD5NPC1

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