SCHEMBL5211151

SCHEMBL5211151

COC(=O)c1ccc(Br)cc1NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 1/20 0.56
▸ MTNR1A P48039 3/20 0.49
▸ MTNR1B P49286 3/20 0.49
▸ HDAC1 Q13547 8/20 0.47
▸ MAPT P10636 4/20 0.47
▸ HTR1D P28221 2/20 0.45
▸ HTR6 P50406 2/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ HTT P42858 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ HTR1E P28566 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR5A P47898 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX12 P18054 1/20 0.43

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
SCHEMBL5209238 0.92 AKR1C2 (0.59) AKR1C2MTNR1AMTNR1BHDAC1MAPT
SCHEMBL5274070 0.90 AKR1C2 (0.58) AKR1C2MTNR1AMTNR1BHDAC1MAPT
SCHEMBL5214528 0.82 AKR1C2 (0.61) AKR1C2MTNR1AMTNR1BHDAC1MAPT
SCHEMBL5211125 0.82 AKR1C2 (0.58) AKR1C2MTNR1AMTNR1BHDAC1MAPT
SCHEMBL5208935 0.80 MEN1 (0.62) AKR1C2MTNR1AMTNR1BHDAC1MAPT
SCHEMBL5208570 0.80 AKR1C2 (0.59) AKR1C2MTNR1AMTNR1BHDAC1MAPT
Deboxamet SCHEMBL186946 0.80 AKR1C2 (0.74) AKR1C2MTNR1AMTNR1BHDAC1MAPT
Deboxamet SCHEMBL29387753 0.80 AKR1C2 (0.74) AKR1C2MTNR1AMTNR1BHDAC1MAPT
SCHEMBL5210270 0.79 AKR1C2 (0.60) AKR1C2MTNR1AMTNR1BHDAC1MAPT
SCHEMBL5206552 0.79 AKR1C2 (0.63) AKR1C2MTNR1AMTNR1BHDAC1MAPT

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
US-7288564-B2 Indole derivatives GLAXO GROUP LIMITED (GB) 2007-10-30 — — US disclosed
EP-1343757-B1 INDOLE DERIVATIVES GLAXO GROUP LTD (GB) 2007-02-14 — — EP disclosed
EP-1343757-A1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-09-17 — — EP disclosed
WO-2002050031-A1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-06-27 — — WO disclosed
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