SCHEMBL6681114

SCHEMBL6681114

CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 9/20 0.71
▸ KDM4E B2RXH2 1/20 0.66
▸ POLB P06746 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ KCNH2 Q12809 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ THRB P10828 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ ATM Q13315 1/20 0.60
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MAPT P10636 1/20 0.57
▸ CASP3 P42574 1/20 0.57
▸ SENP7 Q9BQF6 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ LMNA P02545 1/20 0.55

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
SCHEMBL6675647 0.84 MCHR1 (0.72) MCHR1KDM4EPOLBALDH1A1NFKB1
SCHEMBL6109310 0.83 MCHR1 (1.00) MCHR1
SCHEMBL6678768 0.80 MCHR1 (1.00) MCHR1KDM4EPOLBALDH1A1NFKB1
SCHEMBL6675589 0.78 MCHR1 (0.70) MCHR1KDM4EPOLBALDH1A1NFKB1
SCHEMBL6682267 0.77 MCHR1 (0.62) MCHR1KDM4EPOLBALDH1A1NFKB1
SCHEMBL14831012 0.77 ALDH1A1 (0.79) MCHR1KDM4EPOLBALDH1A1NFKB1
Acecainide SCHEMBL156943 0.77 ALDH1A1 (1.00) MCHR1KDM4EPOLBALDH1A1NFKB1
SCHEMBL6678254 0.76 MCHR1 (0.75) MCHR1KDM4EPOLBALDH1A1NFKB1
SCHEMBL6107273 0.76 MCHR1 (1.00) MCHR1POLBALDH1A1NFKB1KCNH2
SCHEMBL6681505 0.76 MCHR1 (0.72) MCHR1KDM4EPOLBALDH1A1NFKB1

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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