SCHEMBL7260542

SCHEMBL7260542

CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.67
▸ TDP1 Q9NUW8 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ POLB P06746 2/20 0.58
▸ BLM P54132 2/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ LMNA P02545 3/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ NAMPT P43490 1/20 0.54

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
SCHEMBL6110650 0.84 MCHR1 (0.73) MCHR1
SCHEMBL6675589 0.81 MCHR1 (0.70) MCHR1TDP1ALDH1A1NFKB1KCNH2
SCHEMBL1499569 0.80 TDP1 (0.92) MCHR1TDP1ALDH1A1NFKB1KCNH2
SCHEMBL6110041 0.80 MCHR1 (0.75) MCHR1
SCHEMBL14831012 0.78 ALDH1A1 (0.79) MCHR1TDP1ALDH1A1NFKB1KCNH2
SCHEMBL5583042 0.77 TDP1 (0.81) MCHR1TDP1ALDH1A1NFKB1KCNH2
SCHEMBL6678254 0.77 MCHR1 (0.75) MCHR1TDP1ALDH1A1NFKB1KCNH2
SCHEMBL6678768 0.76 MCHR1 (1.00) MCHR1TDP1ALDH1A1NFKB1KCNH2
SCHEMBL12845484 0.76 LMNA (0.72) MCHR1TDP1ALDH1A1NFKB1KCNH2
SCHEMBL542239 0.76 TDP1 (0.74) MCHR1TDP1ALDH1A1NFKB1KCNH2

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
WO-2003087044-A2 NOVEL CARBOXAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2003-10-23 — — WO disclosed
Send feedback