SCHEMBL6559780

SCHEMBL6559780

CCc1ccc(N(C(N)=O)c2ccc3nc(N4CC5CCC4C5)ccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.49
HRH3 Q9Y5N1 2/20 0.34
MAP3K12 Q12852 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
F2 P00734 2/20 0.31
AGTR2 P50052 1/20 0.31
F10 P00742 1/20 0.31
PLG P00747 1/20 0.30
PLAU P00749 1/20 0.30
PLAT P00750 1/20 0.30
KLKB1 P03952 1/20 0.30
PRSS1 P07477 1/20 0.30

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
SCHEMBL5873585 0.81 MCHR1 (0.42) MCHR1HRH3
SCHEMBL5873663 0.80 MCHR1 (0.63) MCHR1NPC1RAB9A
SCHEMBL6557970 0.79 MCHR1 (0.59) MCHR1HRH3
SCHEMBL6559810 0.77 MCHR1 (0.42) MCHR1HRH3PLAU
SCHEMBL5873732 0.77 MCHR1 (0.43) MCHR1HRH3
SCHEMBL6557606 0.74 MCHR1 (0.47) MCHR1HRH3
SCHEMBL5873704 0.74 MCHR1 (0.62) MCHR1NPC1RAB9A
SCHEMBL5873484 0.71 MCHR1 (0.79) MCHR1
SCHEMBL5873621 0.71 MCHR1 (0.56) MCHR1HRH3NPC1RAB9A
SCHEMBL5873617 0.71 MCHR1 (0.56) MCHR1HRH3NPC1RAB9A

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
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP claimed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 WO claimed