SCHEMBL17294114

SCHEMBL17294114

CC(N)[C@@H](OC=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.42
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
THRB P10828 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL6686071 1.00 ADRA2A (0.44) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL26558297 0.84 KMT2A (0.39) ADRA2AADRA2CKMT2ATAAR1THRB
SCHEMBL28101855 0.78 CHRM2 (0.41) LMNAALDH1A1KMT2ATAAR1THRB
SCHEMBL2736669 0.77 CHRM2 (0.35) LMNAALDH1A1KMT2ATAAR1THRB
SCHEMBL2736667 0.77 CHRM2 (0.35) LMNAALDH1A1KMT2ATAAR1THRB
SCHEMBL959684 0.75 DPP4 (0.44) ADRA2AADRA2CDPP4F2KMT2A
SCHEMBL18257694 0.75 THRB (0.53) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL15181483 0.75 DPP4 (0.44) ADRA2AADRA2CDPP4F2KMT2A
SCHEMBL96936 0.75 HCAR2 (0.47) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL12262583 0.75 THRB (0.53) ADRA2AADRA2CLMNAHIF1AKDM4E

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-3149024-A1 DERIVATIVES OF DOLAPROINE-DOLAISOLEUINE PEPTIDES Agensys, Inc. (US) 2017-04-05 EP disclosed
WO-2015183978-A1 DERIVATIVES OF DOLAPROINE-DOLAISOLEUINE PEPTIDES AGENSYS, INC. (US) 2015-12-03 WO disclosed