SCHEMBL4970199

SCHEMBL4970199

NC1CCCc2c1n(-c1ncc(C(F)(F)F)cn1)c1ccc(Br)cc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTR6 P50406 3/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ PTGDR2 Q9Y5Y4 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4968252 0.88 CYP11B1 (0.38) CYP11B1CYP11B2KMT2AMEN1HTR6
SCHEMBL4968898 0.82 MEN1 (0.44) KMT2AMEN1HTR6HTR1AHTR2A
SCHEMBL4971283 0.81 HTR6 (0.39) KMT2AMEN1HTR6HTR1AHTR2A
SCHEMBL4972774 0.77 MEN1 (0.41) KMT2AMEN1HTR6HTR1AHTR2A
SCHEMBL4969052 0.76 HTR6 (0.49) KMT2AMEN1HTR6HTR1AHTR2A
SCHEMBL4967820 0.75 HTR6 (0.43) KMT2AMEN1HTR6HTR1AHTR2A
SCHEMBL4971672 0.74 HTR6 (0.43) KMT2AMEN1HTR6HTR1AHTR2A
SCHEMBL4968907 0.74 HTR6 (0.41) KMT2AMEN1HTR6HTR1AHTR2A
SCHEMBL4971454 0.73 HTR6 (0.41) KMT2AMEN1HTR6HTR1AHTR2A
SCHEMBL15265192 0.72 MEN1 (0.50) 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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