SCHEMBL4968907

SCHEMBL4968907

NC1CCCc2c1n(-c1cccc(F)c1)c1ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ DHODH Q02127 1/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ BPTF Q12830 1/20 0.33
▸ TBXA2R P21731 3/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ MAPT P10636 4/20 0.31
▸ PPARG P37231 1/20 0.31
▸ NCOA2 Q15596 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ TP53 P04637 2/20 0.31

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
SCHEMBL4972774 0.87 MEN1 (0.41) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4969052 0.87 HTR6 (0.49) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4971034 0.84 KMT2A (0.40) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4967820 0.83 HTR6 (0.43) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4971454 0.81 HTR6 (0.41) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4971672 0.80 HTR6 (0.43) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4970766 0.77 HTR6 (0.42) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4969348 0.77 HTR6 (0.45) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4968999 0.76 AHR (0.41) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4971283 0.76 HTR6 (0.39) 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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