SCHEMBL6678254

SCHEMBL6678254

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 9/20 0.75
▸ ALDH1A1 P00352 2/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ KCNH2 Q12809 1/20 0.62
▸ POLB P06746 2/20 0.62
▸ BLM P54132 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ ATM Q13315 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.57
▸ HDAC3 O15379 1/20 0.54
▸ HDAC4 P56524 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ HDAC11 Q96DB2 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 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
SCHEMBL6678768 0.86 MCHR1 (1.00) MCHR1ALDH1A1NFKB1KCNH2POLB
SCHEMBL6675589 0.86 MCHR1 (0.70) MCHR1ALDH1A1NFKB1KCNH2POLB
SCHEMBL6108647 0.84 MCHR1 (1.00) MCHR1
SCHEMBL6107273 0.82 MCHR1 (1.00) MCHR1ALDH1A1NFKB1KCNH2POLB
SCHEMBL8507800 0.81 MCHR1 (0.73) MCHR1ALDH1A1NFKB1KCNH2POLB
SCHEMBL6675647 0.78 MCHR1 (0.72) MCHR1ALDH1A1NFKB1KCNH2POLB
SCHEMBL14831012 0.78 ALDH1A1 (0.79) MCHR1ALDH1A1NFKB1KCNH2POLB
Acecainide SCHEMBL156943 0.78 ALDH1A1 (1.00) MCHR1ALDH1A1NFKB1KCNH2POLB
SCHEMBL3377144 0.77 ALDH1A1 (0.74) MCHR1ALDH1A1NFKB1KCNH2POLB
SCHEMBL6681505 0.77 MCHR1 (0.72) MCHR1ALDH1A1NFKB1KCNH2POLB

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-2004048319-A1 NOVEL BENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2004-06-10 — — WO disclosed
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