SCHEMBL6977474

SCHEMBL6977474

COc1ccc2c(c1)OC(CO)CN2C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
THRB P10828 2/20 0.42
RORC P51449 10/20 0.41
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MTNR1A P48039 1/20 0.38
ALDH1A1 P00352 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL6975852 0.83 RORC (0.45) MAPTTP53THRBRORC
SCHEMBL3359225 0.83 KMT2A (0.46) RORCNFKB1NFKB2RELAALDH1A1
SCHEMBL7822268 0.82 ALDH1A1 (0.39) MAPTTP53THRBRORCALDH1A1
SCHEMBL3353116 0.81 ALDH1A1 (0.51) ALDH1A1
SCHEMBL22396988 0.79 RORC (0.52) MAPTTP53THRBRORC
SCHEMBL22396991 0.79 RORC (0.52) MAPTTP53THRBRORC
SCHEMBL22397004 0.79 RORC (0.52) MAPTTP53THRBRORC
SCHEMBL6097146 0.77 NISCH (0.44) MAPTTP53THRBHRH3MTNR1A
SCHEMBL6980329 0.76 STS (0.35) RORCNFKB1NFKB2RELAALDH1A1
SCHEMBL7920801 0.76 KDM4E (0.42) MAPTTP53RORCALDH1A1

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
EP-1140925-B1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES WYETH CORP (US) 2003-04-23 EP disclosed
US-6313114-B1 ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1140925-A1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040580-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINYL-METHYL[3-(1H-INDOL-3-YL)-ALKYL]-AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed