SCHEMBL20141187

SCHEMBL20141187

CNC(=O)c1cccnc1N1CCN(C(=O)O)C[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 12/20 0.45
SLC6A7 Q99884 1/20 0.45
KMT2A Q03164 2/20 0.43
GRM1 Q13255 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHIA Q9BZP6 1/20 0.40

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
SCHEMBL20133687 0.85 POLB (0.49)
SCHEMBL24640111 0.83 HRH3 (0.42) SMOKMT2AMEN1CYP1A2CYP3A4
SCHEMBL20140857 0.82 ALDH1A1 (0.39) SMOSLC6A7KMT2AMEN1CHIA
SCHEMBL20133686 0.78 HTR2A (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL20141349 0.77 SMO (0.45) SMOSLC6A7KMT2AGRM1SMN1; SMN2
SCHEMBL24640807 0.75 CHIA (0.41) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL3119867 0.74 SLC6A7 (0.43) SMOSLC6A7GRM1SMN1; SMN2
SCHEMBL20140855 0.74 GRM1 (0.67) SMOSLC6A7GRM1SMN1; SMN2CYP3A4
SCHEMBL27141867 0.73 PARP1 (0.51) SLC6A7SMN1; SMN2CYP2C19
SCHEMBL24639820 0.73 HRH3 (0.36) KMT2ASMN1; SMN2MEN1CYP1A2CYP3A4

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