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Sugi Predict / Compounds / SCHEMBL14501543

SCHEMBL14501543

SCHEMBL14501543

CN(C)C1CCN(c2ccc(NC(=O)N3CCN(C4CCCCC4)CC3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.54
▸ MCHR1 Q99705 11/20 0.53
▸ NAMPT P43490 1/20 0.49
▸ SHMT2 P34897 1/20 0.46

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
SCHEMBL12529078 0.91 HRH3 (0.58) HRH3MCHR1NAMPT
SCHEMBL12529088 0.86 HRH3 (0.60) HRH3MCHR1
SCHEMBL12528771 0.85 CCR2 (0.52) HRH3MCHR1NAMPT
SCHEMBL12528993 0.84 MCHR1 (0.65) HRH3MCHR1NAMPT
SCHEMBL12529027 0.84 MAPT (0.62) HRH3MCHR1
SCHEMBL12528808 0.84 MCHR1 (0.56) HRH3MCHR1
SCHEMBL12529014 0.83 MCHR1 (0.65) HRH3MCHR1NAMPT
SCHEMBL12529018 0.83 CA12 (0.63) HRH3MCHR1NAMPT
SCHEMBL12528997 0.82 TRPV1 (0.61) HRH3MCHR1NAMPT
SCHEMBL12529046 0.82 MAPT (0.66) HRH3MCHR1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 — — US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 — — US disclosed
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