SCHEMBL20141699

SCHEMBL20141699

CCOC(=O)c1cc2ccccc2n1CCNC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.59
MTNR1B P49286 3/20 0.59
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
NOD2 Q9HC29 3/20 0.55
NOD1 Q9Y239 3/20 0.55
TP53 P04637 3/20 0.51
F10 P00742 2/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL7879892 0.90 MTNR1A (0.69) MTNR1AMTNR1BKDM4ESMN1; SMN2CRHBP
SCHEMBL16150685 0.88 MAPT (0.47) MTNR1AMTNR1BKDM4ESMN1; SMN2CRHBP
SCHEMBL7960876 0.87 F10 (0.50) MTNR1AMTNR1BKDM4ESMN1; SMN2CRHBP
SCHEMBL24187458 0.86 MTNR1A (0.46) MTNR1AMTNR1BKDM4ESMN1; SMN2CRHBP
SCHEMBL15563812 0.86 DRD2 (0.44) MTNR1AMTNR1BKDM4ESMN1; SMN2CRHBP
SCHEMBL29153650 0.85 MTNR1A (0.42) MTNR1AMTNR1BKDM4ESMN1; SMN2CRHBP
SCHEMBL4929242 0.83 MTNR1A (0.60) MTNR1AMTNR1BKMT2A
SCHEMBL16150853 0.82 MAPT (0.45) MTNR1AMTNR1BKDM4ESMN1; SMN2CRHBP
SCHEMBL2982156 0.81 MTNR1A (0.42) MTNR1AMTNR1BKDM4ESMN1; SMN2CRHBP
SCHEMBL24187366 0.81 KDM4E (0.60) KDM4ESMN1; SMN2MEN1KMT2ATSHR

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