SCHEMBL4971672

SCHEMBL4971672

NC1CCCc2c1n(-c1ccc(Cl)cc1)c1ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MIF P14174 1/20 0.37
▸ TBXA2R P21731 3/20 0.36
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ LIG1 P18858 1/20 0.35
▸ PTGDR Q13258 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ USP2 O75604 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
SCHEMBL4972027 0.90 MAPT (0.46) HTR1AMEN1KMT2AMAPTALDH1A1
SCHEMBL4971454 0.88 HTR6 (0.41) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4972774 0.88 MEN1 (0.41) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4969052 0.88 HTR6 (0.49) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4970766 0.85 HTR6 (0.42) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4972329 0.83 KDM4E (0.42) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL4966957 0.83 KDM4E (0.45) HTR6HTR1AMEN1KMT2AMAPT
SCHEMBL4968337 0.82 MAPT (0.44) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4969348 0.82 HTR6 (0.45) HTR6HTR1AHTR2AHTR7MEN1
SCHEMBL4968907 0.80 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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