SCHEMBL20141063

SCHEMBL20141063

O=C(O)N1CCN(c2ccc(F)cc2)[C@H](CO)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.42
NOTUM Q6P988 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GRM5 P41594 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.39
FFAR1 O14842 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.39
AKR1C3 P42330 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 0.87 MAPK1 (0.42) RORCNOTUMALDH1A1GRM5LMNA
SCHEMBL14921000 0.86 ADAMTS5 (0.47) NOTUMALDH1A1GRM5LMNAFFAR1
SCHEMBL20141040 0.84 RORC (0.43) RORCLMNASMN1; SMN2ADAMTS5
SCHEMBL16870 0.82 GCKR (0.46) RORC
SCHEMBL22471462 0.81 MAPT (0.46) POLBALDH1A1LMNATP53AKR1C3
SCHEMBL21360346 0.81 GRM5 (0.42) POLBALDH1A1GRM5LMNATP53
SCHEMBL20141514 0.81 NOTUM (0.48) NOTUMPOLBALDH1A1CA12CA1
SCHEMBL20141224 0.79 KDM4E (0.46) NOTUMPOLBALDH1A1LMNAGAA
SCHEMBL20140992 0.78 NOTUM (0.42) NOTUMPOLBALDH1A1CA12CA1
SCHEMBL28861638 0.76 CHRM4 (0.38) ALDH1A1HPGDHSD17B10

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