SCHEMBL28201246

SCHEMBL28201246

COc1ccc(N2CCN(C(CO)C(N)=O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 4/20 0.50
MAPK1 P28482 1/20 0.50
ADRB1 P08588 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
AKR1C3 P42330 1/20 0.49
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
GFER P55789 2/20 0.47
HSD17B10 Q99714 1/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL7294581 0.85 DRD2 (0.49) L3MBTL1KMT2AALDH1A1KDM4EMEN1
SCHEMBL28201240 0.81 ADRA2A (0.53) KMT2AALDH1A1MEN1TAAR1AKR1C3
SCHEMBL28201210 0.76 TSHR (0.58) KMT2AALDH1A1KDM4EMEN1MAPK1
SCHEMBL8594526 0.76 KMT2A (0.52) L3MBTL1KMT2AALDH1A1KDM4EMEN1
SCHEMBL28304654 0.75 L3MBTL1 (0.62) L3MBTL1KMT2AALDH1A1KDM4EMEN1
SCHEMBL8365003 0.75 L3MBTL1 (0.71) L3MBTL1KMT2AALDH1A1KDM4EMEN1
SCHEMBL4393525 0.74 MEN1 (0.64) L3MBTL1KMT2AMEN1MAPK1ADRB1
Hydrochloric Acid SCHEMBL10436132 0.74 L3MBTL1 (0.60) L3MBTL1KMT2AALDH1A1KDM4EMEN1
SCHEMBL29656856 0.73 HTR3E (0.73) L3MBTL1KMT2AALDH1A1MEN1ADRB1
SCHEMBL28599511 0.73 HTR3E (0.73) L3MBTL1KMT2AALDH1A1MEN1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107735397-A GPR55 receptor active selective modulators:Chromene pyrazole derivatives 高等科学研究委员会(CSIC) 2018-02-23 CN disclosed