SCHEMBL4968252

SCHEMBL4968252

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ HTR6 P50406 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KRAS P01116 2/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 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
SCHEMBL4970199 0.88 CYP11B1 (0.37) CYP11B1CYP11B2HTR6KMT2AMEN1
SCHEMBL4972774 0.75 MEN1 (0.41) HTR6LMNAKMT2AMEN1HTR1A
SCHEMBL4969052 0.75 HTR6 (0.49) HTR6KDM4ELMNAKMT2AMEN1
SCHEMBL4971283 0.73 HTR6 (0.39) HTR6KDM4ELMNAKMT2AMEN1
SCHEMBL4967820 0.73 HTR6 (0.43) HTR6KDM4ELMNAKMT2AMEN1
SCHEMBL4971672 0.73 HTR6 (0.43) HTR6KDM4ELMNAKMT2AMEN1
SCHEMBL4968907 0.72 HTR6 (0.41) HTR6LMNAKMT2AMEN1HTR1A
SCHEMBL4968898 0.72 MEN1 (0.44) HTR6KDM4ELMNAKMT2AMEN1
SCHEMBL4971454 0.71 HTR6 (0.41) HTR6KDM4EABL1LMNAKMT2A
SCHEMBL15265192 0.71 MEN1 (0.50) HTR6KDM4ELMNAKMT2AMEN1

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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