SCHEMBL4972726

SCHEMBL4972726

COc1ccccc1-n1c2c(c3cc(Br)ccc31)CCCC2N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ IDO1 P14902 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ EHMT2 Q96KQ7 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4967820 0.84 HTR6 (0.43) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4969348 0.84 HTR6 (0.45) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4969052 0.82 HTR6 (0.49) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4971034 0.82 KMT2A (0.40) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4970766 0.81 HTR6 (0.42) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4972774 0.78 MEN1 (0.41) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL15265192 0.75 MEN1 (0.50) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4971672 0.75 HTR6 (0.43) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4968907 0.75 HTR6 (0.41) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4971454 0.73 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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