SCHEMBL4971283

SCHEMBL4971283

NC1CCCCc2c1n(-c1ncccn1)c1ccc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ACHE P22303 6/20 0.34
▸ BCHE P06276 5/20 0.34
▸ GRIN1 Q05586 5/20 0.34
▸ GRIN2A Q12879 5/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ MAPT P10636 4/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ BAZ2B Q9UIF8 1/20 0.32
▸ PPARG P37231 1/20 0.32

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
SCHEMBL4970261 0.82 KDM4E (0.42) KMT2AMEN1ACHEBCHEGRIN1
SCHEMBL4970199 0.81 CYP11B1 (0.37) HTR6HTR1AHTR2AHTR7KMT2A
SCHEMBL4969052 0.81 HTR6 (0.49) HTR6HTR1AHTR2AHTR7KMT2A
SCHEMBL4970714 0.80 MEN1 (0.40) HTR6KMT2AMEN1ACHEMAPT
SCHEMBL4968898 0.80 MEN1 (0.44) HTR6HTR1AHTR2AHTR7KMT2A
SCHEMBL4972772 0.80 HTR6 (0.39) HTR6KMT2AACHEBCHEGRIN1
SCHEMBL4970496 0.79 HTR6 (0.40) HTR6HTR1AHTR2AHTR7KMT2A
SCHEMBL4967820 0.77 HTR6 (0.43) HTR6HTR1AHTR2AHTR7KMT2A
SCHEMBL4972774 0.76 MEN1 (0.41) HTR6HTR1AHTR2AHTR7KMT2A
SCHEMBL4971672 0.76 HTR6 (0.43) HTR6HTR1AHTR2AHTR7KMT2A

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
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 — — EP claimed
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