SCHEMBL6570697

SCHEMBL6570697

COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.67
HTR2C P28335 2/20 0.67
HTR1D P28221 2/20 0.52
HTR1B P28222 2/20 0.52
HTR2A P28223 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
F10 P00742 1/20 0.52

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
SCHEMBL6569196 0.90 MCHR1 (0.76) MCHR1HTR2C
SCHEMBL6928026 0.89 MCHR1 (0.76) MCHR1HTR2C
SCHEMBL6569338 0.87 MCHR1 (0.74) MCHR1HTR2C
SCHEMBL6569176 0.85 MCHR1 (0.72) MCHR1HTR2C
SCHEMBL6569200 0.85 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL6892149 0.84 MCHR1 (0.65) MCHR1HTR2CALDH1A1HPGD
SCHEMBL6926340 0.84 MCHR1 (0.92) MCHR1HTR2C
SCHEMBL6923778 0.84 MCHR1 (0.78) MCHR1HTR2C
SCHEMBL6926499 0.84 MCHR1 (0.66) MCHR1HTR2CKDM4EMEN1MAPT
SCHEMBL7067789 0.84 MCHR1 (0.66) MCHR1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140072-B1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-04-14 EP claimed
EP-1140072-B1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-04-14 EP disclosed
EP-1140072-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-04-16 EP disclosed
EP-1140072-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040239-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-13 WO disclosed