SCHEMBL3801169

SCHEMBL3801169

CC1(C(=O)O)CCN(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.48
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
OPRM1 P35372 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL25268918 0.88 FFAR3 (0.44) FFAR3ALDH1A1CYP2C19L3MBTL1
SCHEMBL25269622 0.88 FFAR3 (0.44) FFAR3ALDH1A1CYP2C19L3MBTL1
SCHEMBL7018317 0.88 FFAR3 (0.44) FFAR3ALDH1A1CYP2C19L3MBTL1
SCHEMBL3057470 0.86 FFAR3 (0.59) FFAR3HTR2AHTR2CHRH1HTR2B
SCHEMBL13737602 0.83 FFAR3 (0.34) FFAR3ALDH1A1MAPK1CYP2C19OPRM1
SCHEMBL27711332 0.81 FFAR3 (0.50) FFAR3ALDH1A1MAPK1CYP2C19NPSR1
SCHEMBL1468595 0.80 USP2 (0.36) FFAR3ALDH1A1MAPK1CYP2C19NPSR1
SCHEMBL3952636 0.79 SPR (0.41) FFAR3ALDH1A1MAPK1CYP2C19OPRM1
SCHEMBL12373947 0.76 USP2 (0.45) FFAR3
SCHEMBL17469418 0.76 USP2 (0.45) FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021133038-A1 NOVEL AMIDE DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF 주식회사 엘지화학 2021-07-01 WO disclosed
CN-106255679-B As NAThe heterocyclic compound and application thereof of V channel inhibitor 默克专利有限公司 2019-09-06 CN disclosed
CN-106255679-A As Naheterocyclic compound of V channel inhibitor and application thereof 默克专利有限公司 2016-12-21 CN disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed