SCHEMBL4969052

SCHEMBL4969052

NC1CCCc2c1n(-c1ccccc1)c1ccc(Br)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR7 P34969 1/20 0.49
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CYP2D6 P10635 2/20 0.40
▸ DHODH Q02127 1/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 5/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ BCHE P06276 4/20 0.34
▸ ACHE P22303 4/20 0.34
▸ GRIN1 Q05586 4/20 0.34
▸ GRIN2A Q12879 4/20 0.34

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
SCHEMBL4971672 0.88 HTR6 (0.43) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4972774 0.88 MEN1 (0.41) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4968907 0.87 HTR6 (0.41) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4967820 0.85 HTR6 (0.43) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4971034 0.85 KMT2A (0.40) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4968337 0.85 MAPT (0.44) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4969348 0.84 HTR6 (0.45) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4970766 0.84 HTR6 (0.42) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4967660 0.84 KDM4E (0.46) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL4971454 0.83 HTR6 (0.41) HTR6HTR1AHTR2AHTR7MEN1

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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