SCHEMBL20141224

SCHEMBL20141224

O=C(O)N1CCN(c2ccccc2F)[C@H](CO)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
TSHR P16473 3/20 0.45
NOTUM Q6P988 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL20141301 0.82 MAPK1 (0.42) KMT2AMEN1TSHRNOTUMLMNA
SCHEMBL20141154 0.82 GRM1 (0.48) KDM4E
SCHEMBL21360309 0.81 SCN9A (0.46) KMT2AMEN1TSHRLMNAMAPT
SCHEMBL20140930 0.80 GAA (0.38) TSHRSMN1; SMN2GAA
SCHEMBL20141063 0.79 RORC (0.42) ALOX15NOTUMLMNASMN1; SMN2GAA
SCHEMBL26112312 0.78 ALDH1A1 (0.46) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL26112304 0.78 ALDH1A1 (0.46) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL20141040 0.77 RORC (0.43) TSHRLMNAMAPTSMN1; SMN2NPC1
SCHEMBL20141307 0.76 GRM1 (0.46) KDM4EKMT2ATSHRLMNASMN1; SMN2
SCHEMBL3169375 0.74 CCNE2 (0.42) KDM4EKMT2AMEN1NOTUMGAA

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