SCHEMBL20141200

SCHEMBL20141200

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1N[C@H]1CCCN(c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.68
RPTOR Q8N122 9/20 0.68
MLST8 Q9BVC4 9/20 0.68
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NAMPT P43490 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
USP30 Q70CQ3 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL21360325 1.00 MTOR (0.68) MTORRPTORMLST8ALDH1A1TSHR
SCHEMBL21360385 0.96 MTOR (0.72) MTORRPTORMLST8ALDH1A1TSHR
SCHEMBL20149902 0.96 MTOR (0.72) MTORRPTORMLST8ALDH1A1TSHR
SCHEMBL22693146 0.96 MTOR (0.73) MTORRPTORMLST8NAMPT
SCHEMBL21360330 0.94 MTOR (0.65) MTORRPTORMLST8NAMPT
SCHEMBL21360366 0.93 MTOR (0.65) MTORRPTORMLST8NAMPTRECQL
SCHEMBL20133739 0.92 MTOR (0.78) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20150218 0.89 MTOR (0.74) MTORRPTORMLST8TSHRNAMPT
SCHEMBL20133691 0.89 MTOR (0.69) MTORRPTORMLST8ALDH1A1TSHR
SCHEMBL20133560 0.89 MTOR (0.69) MTORRPTORMLST8NAMPTRECQL

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