SCHEMBL4967820

SCHEMBL4967820

NC1CCCc2c1n(-c1ccccc1F)c1ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ CYP2D6 P10635 3/20 0.35
▸ DHODH Q02127 2/20 0.34
▸ HSD17B10 Q99714 4/20 0.32
▸ TP53 P04637 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ SLC6A2 P23975 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
SCHEMBL4969348 0.87 HTR6 (0.45) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4969052 0.85 HTR6 (0.49) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4972726 0.84 HTR6 (0.41) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4972774 0.83 MEN1 (0.41) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4968907 0.83 HTR6 (0.41) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4971672 0.79 HTR6 (0.43) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4971454 0.77 HTR6 (0.41) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4971283 0.77 HTR6 (0.39) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4971034 0.76 KMT2A (0.40) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL15265192 0.76 MEN1 (0.50) 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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