SCHEMBL2929189

SCHEMBL2929189

CCC(ON)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
IDO1 P14902 8/20 0.44
TDO2 P48775 6/20 0.44
TAAR1 Q96RJ0 4/20 0.41
HTR2A P28223 1/20 0.41
SLC7A5 Q01650 1/20 0.41
AOC3 Q16853 1/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
SLC6A4 P31645 1/20 0.39

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
SCHEMBL5799572 0.83 IDO1 (0.49) LMNAIDO1TDO2TAAR1HTR2A
SCHEMBL36373 0.81 LMNA (0.50) LMNATAAR1HTR2ASLC7A5SLC6A4
SCHEMBL2792023 0.81 LMNA (0.50) LMNATAAR1HTR2ASLC7A5AOC3
Hydrochloric Acid SCHEMBL9340764 0.81 IDO1 (0.51) IDO1TDO2AOC3SLC6A4
SCHEMBL1520922 0.79 TAAR1 (0.54) IDO1TDO2TAAR1HTR2ANOS2
SCHEMBL1068693 0.79 LMNA (0.48) LMNATAAR1HTR2ASLC7A5AOC3
SCHEMBL8269660 0.79 LMNA (0.48) LMNATAAR1HTR2ASLC7A5AOC3
SCHEMBL11915432 0.79 LMNA (0.48) LMNATAAR1HTR2ASLC7A5AOC3
SCHEMBL1411711 0.77 LMNA (0.52) LMNASLC7A5AOC3NOS3NOS2
SCHEMBL12981312 0.77 LMNA (0.46) LMNATAAR1HTR2ASLC7A5AOC3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed
WO-2019051198-A1 PRODRUG INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2019-03-14 WO disclosed
CN-109370997-A A kind of Phenylalanine aminomutase mutant 江南大学 2019-02-22 CN disclosed
CN-109337891-A A kind of Phenylalanine aminomutase mutant that thermal stability improves 江南大学 2019-02-15 CN disclosed
CN-108004225-A A kind of mutant of the Phenylalanine aminomutase in pantoea agglomerans source 江南大学 2018-05-08 CN disclosed
CN-104644578-A Sitagliptin phosphate composition tablet and preparation method thereof TIANJIN HANKANG PHARMACEUTICAL BIOTECHNOLOGY CO LTD 2015-05-27 CN disclosed
CN-104650087-A Sitagliptin phosphate anhydrous compound TIANJIN HANKANG PHARMACEUTICAL BIOTECHNOLOGY CO LTD 2015-05-27 CN disclosed
CN-1760173-A Method for synthesizing o-aminophenylpropyl alcohol UNIV SHANGHAI (CN) 2006-04-19 CN disclosed