SCHEMBL6769799

SCHEMBL6769799

Cc1nc(N)c2ncn(CCCCNC(=O)c3cccc(C#N)c3)c2c1C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.50
NAMPT P43490 3/20 0.46
HDAC3 O15379 1/20 0.45
ADORA2A P29274 3/20 0.42
GAA P10253 1/20 0.41
GPR139 Q6DWJ6 1/20 0.40
GRM5 P41594 1/20 0.40
CCR5 P51681 1/20 0.38
KCNA3 P22001 1/20 0.37
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.37

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
SCHEMBL6772103 0.87 MCHR1 (0.51) MCHR1NAMPTGAADRD3
SCHEMBL6897844 0.86 CCR3 (0.46)
SCHEMBL6768483 0.86 DRD3 (0.44) HDAC3GAADRD3
SCHEMBL3867357 0.85 MCHR1 (0.49) MCHR1NAMPTHDAC3ADORA2AGAA
SCHEMBL6773542 0.84 TP53BP1 (0.48) NAMPTHDAC3GPR139DRD3
SCHEMBL6773548 0.84 HDAC3 (0.49) HDAC3DRD3
SCHEMBL6773077 0.82 MCHR1 (0.49) MCHR1NAMPTHDAC3ADORA2AGAA
SCHEMBL6784710 0.81 GLO1 (0.38)
SCHEMBL6774052 0.81 POLB (0.43) NAMPTHDAC3GAADRD3
SCHEMBL6773218 0.80 MCHR1 (0.47) MCHR1NAMPTHDAC3ADORA2AGAA

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
US-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed