SCHEMBL20140981

SCHEMBL20140981

Cc1cc(C)c(N(c2ccccc2C#N)C2CCNCC2)c(C)c1C(=O)N1CCN(c2ncccc2S(N)(=O)=O)C[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.46
RPTOR Q8N122 3/20 0.46
MLST8 Q9BVC4 3/20 0.46
GRM1 Q13255 3/20 0.40
AVPR1A P37288 1/20 0.36
CHRM1 P11229 5/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM3 P20309 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 1/20 0.33
PIK3CD O00329 2/20 0.33
LIMK2 P53671 1/20 0.32
SMO Q99835 1/20 0.32

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
SCHEMBL20140932 0.91 MTOR (0.56) MTORRPTORMLST8CA12CA1
SCHEMBL20140935 0.82 MTOR (0.53) MTORRPTORMLST8CA12CA1
SCHEMBL20141210 0.81 MTOR (0.65) MTORRPTORMLST8CA12CA1
SCHEMBL20133715 0.79 MTOR (0.70) MTORRPTORMLST8GRM1AVPR1A
SCHEMBL20141671 0.78 MTOR (0.44) MTORRPTORMLST8GRM1CHRM1
SCHEMBL20141035 0.75 MTOR (0.45) MTORRPTORMLST8AVPR1AKDM4E
SCHEMBL20133778 0.74 MTOR (0.60) MTORRPTORMLST8GRM1AVPR1A
SCHEMBL20141245 0.73 SLC6A2 (0.41)
SCHEMBL22187986 0.73 MTOR (0.65) MTORRPTORMLST8GRM1AVPR1A
SCHEMBL20142302 0.73 MTOR (0.55) MTORRPTORMLST8CA12CA1

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