SCHEMBL20141459

SCHEMBL20141459

CC(C)(C)OC(=O)c1ccc(N2CCNC[C@H]2C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GPR119 Q8TDV5 5/20 0.36
HTR2C P28335 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OPRD1 P41143 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
HPGD P15428 1/20 0.33
SRD5A1 P18405 1/20 0.33

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
SCHEMBL15008622 1.00 ADRB1 (0.36) ADRB1CA12CA1CA2CA9
SCHEMBL6543170 0.81 HTT (0.42) CA12CA1CA2CA9CA14
SCHEMBL21753071 0.80 MAPT (0.37) ADRB1CA12CA1CA2CA9
SCHEMBL27561229 0.79 SLC6A2 (0.44) ADRB1GPR119HTR2CUSP2ALDH1A1
SCHEMBL23301320 0.78 SLC6A2 (0.49) HTR2CALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL20140971 0.77 SLC6A2 (0.53) ADRB1HTR2CUSP2ALDH1A1TSHR
SCHEMBL9396845 0.77 SLC6A2 (0.53) ADRB1HTR2CUSP2ALDH1A1TSHR
SCHEMBL5394683 0.76 NOTUM (0.43) HTR2CALDH1A1TSHRSLC6A2SLC6A4
SCHEMBL5536717 0.76 ALDH1A1 (0.55) ADRB1GPR119USP2ALDH1A1TSHR
SCHEMBL27613840 0.76 HTR3E (0.45) ADRB1HTR2CALDH1A1SLC6A2SLC6A4

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