SCHEMBL4971034

SCHEMBL4971034

COc1cccc(-n2c3c(c4cc(Br)ccc42)CCCC3N)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTR6 P50406 7/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ TSPO P30536 2/20 0.38
▸ EPHB4 P54760 1/20 0.37
▸ ROCK2 O75116 2/20 0.36
▸ ELANE P08246 2/20 0.36
▸ GID4 Q8IVV7 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CCKBR P32239 1/20 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
SCHEMBL4970766 0.89 HTR6 (0.42) KMT2AMEN1HTR6HTR1AHTR2A
SCHEMBL4969052 0.85 HTR6 (0.49) KMT2AMEN1HTR6HTR1AHTR2A
SCHEMBL4968907 0.84 HTR6 (0.41) KMT2AMEN1HTR6HTR1AHTR2A
SCHEMBL4972726 0.82 HTR6 (0.41) KMT2AMEN1HTR6HTR1AHTR2A
SCHEMBL4971454 0.79 HTR6 (0.41) KMT2AMEN1HTR6HTR1AHTR2A
SCHEMBL4971672 0.78 HTR6 (0.43) KMT2AMEN1HTR6HTR1AHTR2A
SCHEMBL4972774 0.78 MEN1 (0.41) KMT2AMEN1HTR6HTR1AHTR2A
SCHEMBL4972772 0.77 HTR6 (0.39) KMT2AHTR6
SCHEMBL346299 0.77 TSPO (0.49) KMT2AMEN1TSPOELANECCKBR
SCHEMBL4967820 0.76 HTR6 (0.43) KMT2AMEN1HTR6HTR1AHTR2A

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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