SCHEMBL7286452

SCHEMBL7286452

COc1ccc(CC#N)c(CCc2cccc(C)c2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39
MAPK1 P28482 1/20 0.39
CRHR2 Q13324 1/20 0.39
ABCB1 P08183 4/20 0.38
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CHEK1 O14757 1/20 0.37
NEK2 P51955 1/20 0.37
LIMK1 P53667 1/20 0.37
TYRO3 Q06418 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL7283720 0.88 SLC2A1 (0.58) SLC2A1ABCB1HTR1ATAAR1ABCG2
SCHEMBL7285255 0.87 SLC2A1 (0.47) SLC2A1POLBABCB1HTR1AADRA1D
SCHEMBL7279399 0.86 SLC2A1 (0.49) SLC2A1POLBABCB1ABCG2SMN1; SMN2
SCHEMBL10383098 0.84 SLC2A1 (0.42) SLC2A1ALDH1A1KDM4ETSHRTAAR1
SCHEMBL10382981 0.84 SLC2A1 (0.47) SLC2A1ALDH1A1POLBKDM4EGAA
SCHEMBL7295345 0.83 SLC2A1 (0.53) SLC2A1ABCB1HTR1ATAAR1ABCG2
SCHEMBL7287145 0.83 SLC2A1 (0.53) SLC2A1ABCB1TAAR1ABCG2
SCHEMBL7438265 0.83 TUBB4A (0.48) SLC2A1ABCB1
SCHEMBL7437374 0.83 MAPT (0.48) SLC2A1ALDH1A1POLBGAATSHR
Hydrochloric Acid SCHEMBL7295516 0.81 TAAR1 (0.51) SLC2A1KDM4ETAAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223598-B1 CATECHOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF FISONS plc (GB) 1991-06-12 EP disclosed
US-4939147-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC. (GB) 1990-07-03 US disclosed
US-4922022-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC (GB) 1990-05-01 US disclosed
US-4883804-A Aromatic compounds FISONS PLC (GB) 1989-11-28 US disclosed
EP-0223598-A2 Catecholamine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-05-27 EP disclosed