SCHEMBL5334052

SCHEMBL5334052

Brc1ccc2ccnc(NC3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.56
KCNH2 Q12809 3/20 0.52
ACHE P22303 1/20 0.52
BACE1 P56817 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
SCHEMBL14542257 0.86 MCHR1 (0.72) MCHR1KCNH2
SCHEMBL5307582 0.84 MCHR1 (0.54) MCHR1KCNH2ACHE
SCHEMBL14542518 0.83 ACHE (0.43) MCHR1ACHE
SCHEMBL1605047 0.73 HTR2B (0.66) MCHR1KCNH2
SCHEMBL5312468 0.72 MCHR1 (0.69) MCHR1KCNH2
SCHEMBL5312221 0.72 MCHR1 (0.60) MCHR1KCNH2
SCHEMBL4125253 0.71 SIGMAR1 (0.62) MCHR1
SCHEMBL4753138 0.70 MEN1 (0.66) MCHR1KCNH2
SCHEMBL5308436 0.70 MCHR1 (0.66) MCHR1KCNH2
SCHEMBL5364039 0.70 BRD4 (0.51)

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-2007042668-A1 DERIVATIVES OF 1-AMINO-ISOQUINOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS IN THE TREATMENT OF A DYSFUNCTION ASSOCIATED WITH MCH RECEPTOR 1 SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed