SCHEMBL7285255

SCHEMBL7285255

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
TP53 P04637 2/20 0.38
MDM2 Q00987 2/20 0.38
ABCB1 P08183 1/20 0.37
ACHE P22303 1/20 0.37
TAAR1 Q96RJ0 2/20 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
SCHEMBL7286452 0.87 SLC2A1 (0.45) SLC2A1POLBHTR1AADRA1DADRA1A
SCHEMBL7283720 0.87 SLC2A1 (0.58) SLC2A1HTR1AABCB1TAAR1
SCHEMBL7279399 0.85 SLC2A1 (0.49) SLC2A1POLBABCB1
SCHEMBL7296118 0.84 SLC2A1 (0.49) SLC2A1POLBPKMHTR1AADRA1D
SCHEMBL10383098 0.83 SLC2A1 (0.42) SLC2A1MEN1KMT2ATP53TAAR1
SCHEMBL7438265 0.82 TUBB4A (0.48) SLC2A1HTR2AHTR2CHTR2BABCB1
Hydrochloric Acid SCHEMBL10383913 0.82 SLC2A1 (0.53) SLC2A1MEN1KMT2ATAAR1
SCHEMBL7437374 0.82 MAPT (0.48) SLC2A1POLBHTR1AADRA1DADRA1A
SCHEMBL7285836 0.80 KDM4E (0.48) SLC2A1MEN1KMT2AABCB1
SCHEMBL7287145 0.80 SLC2A1 (0.53) SLC2A1ABCB1ACHETAAR1

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