SCHEMBL20140715

SCHEMBL20140715

Cc1cccc(C2=CCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.47
GRM5 P41594 12/20 0.46
GRM1 Q13255 11/20 0.45
HTR1A P08908 3/20 0.45
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
NAMPT P43490 1/20 0.42
GPR119 Q8TDV5 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
SCHEMBL16544582 0.88 GRM5 (0.59) PDK4GRM5GRM1HTR1ADRD2
SCHEMBL28930727 0.86 PDK4 (0.47) PDK4GRM5GRM1NAMPT
SCHEMBL3466674 0.85 GRM1 (0.46) PDK4GRM5GRM1NAMPT
SCHEMBL24793335 0.84 PDK4 (0.45) PDK4GRM5GRM1NAMPTGPR119
SCHEMBL29899506 0.84 IDH1 (0.48) PDK4GRM5GRM1HTR1ADRD2
SCHEMBL3466461 0.83 PDK4 (0.44) PDK4GRM5GRM1NAMPTGPR119
SCHEMBL20140921 0.81 HTR1A (0.45) GRM5HTR1ADRD2DRD4
SCHEMBL31334406 0.81 GRM5 (0.55) PDK4GRM5GRM1NAMPTGPR119
SCHEMBL29899534 0.81 GRM1 (0.45) PDK4GRM5GRM1NAMPTGPR119
SCHEMBL30308912 0.80 GRM1 (0.64) PDK4GRM5GRM1NAMPTGPR119

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed