SCHEMBL6604744

SCHEMBL6604744

COc1ccc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1OCCN(C(C)CI)C(C)CI

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.57
NR1H4 Q96RI1 1/20 0.51
PPARA Q07869 6/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
SCD O00767 1/20 0.47
MAPT P10636 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR2C P28335 1/20 0.45
PPARG P37231 2/20 0.44
PPARD Q03181 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL6605510 0.92 MCHR1 (0.67) MCHR1NR1H4PPARANPC1ALDH1A1
SCHEMBL6603843 0.87 NR1H4 (0.54) MCHR1NR1H4PPARANPC1ALDH1A1
SCHEMBL6605515 0.86 NR1H4 (0.53) MCHR1NR1H4PPARANPC1ALDH1A1
SCHEMBL6603148 0.84 MCHR1 (0.65) MCHR1NR1H4PPARAALDH1A1SCD
SCHEMBL6604858 0.83 MCHR1 (0.53) MCHR1MAPTHTR2C
SCHEMBL6602551 0.82 MCHR1 (0.54) MCHR1GAAMAPTMEN1KMT2A
SCHEMBL6602805 0.82 MCHR1 (0.62) MCHR1MEN1KMT2AHTR2C
SCHEMBL6604936 0.79 MEN1 (0.53) MCHR1NR1H4PPARAALDH1A1SCD
SCHEMBL6607020 0.78 NR1H4 (0.62) MCHR1NR1H4PPARANPC1ALDH1A1
SCHEMBL6603157 0.78 MAPT (0.53) MCHR1NR1H4PPARAALDH1A1SCD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed