SCHEMBL20141054

SCHEMBL20141054

Cc1cc(C)c(N(c2ccccc2Cl)C2CCNCC2)cc1C(=O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.48
RPTOR Q8N122 6/20 0.48
MLST8 Q9BVC4 6/20 0.48
TP53 P04637 2/20 0.43
TACR3 P29371 1/20 0.41
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
PARP1 P09874 1/20 0.38
NAMPT P43490 1/20 0.37
AVPR1A P37288 1/20 0.37
LMNA P02545 1/20 0.37
SPR P35270 1/20 0.37
MC4R P32245 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL20141164 0.88 MTOR (0.46) MTORRPTORMLST8TP53TACR3
SCHEMBL20140929 0.82 MTOR (0.57) MTORRPTORMLST8TP53TACR3
Trifluoroacetic Acid SCHEMBL20141119 0.82 MTOR (0.46) MTORRPTORMLST8TP53TACR3
SCHEMBL20141263 0.81 MTOR (0.46) MTORRPTORMLST8MAPTPARP1
SCHEMBL20141228 0.81 MTOR (0.45) MTORRPTORMLST8TACR3GRM5
SCHEMBL20140814 0.80 MTOR (0.45) MTORRPTORMLST8TP53TACR3
SCHEMBL20141624 0.80 KDM4E (0.42) TP53ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL20141253 0.79 TSHR (0.43) TP53ALDH1A1HSP90AA1SMN1; SMN2LMNA
SCHEMBL20141443 0.79 MTOR (0.45) MTORRPTORMLST8ALDH1A1SMN1; SMN2
SCHEMBL20140972 0.79 MTOR (0.56) MTORRPTORMLST8TACR3GRM5

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