SCHEMBL6773077

SCHEMBL6773077

Cc1nc(N)c2nc(C)n(CCCNC(=O)c3cccc(C#N)c3)c2c1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.49
ADORA2A P29274 6/20 0.47
NAMPT P43490 2/20 0.45
HDAC3 O15379 1/20 0.44
GRM5 P41594 1/20 0.41
CCR5 P51681 1/20 0.41
GAA P10253 1/20 0.40
GPR139 Q6DWJ6 1/20 0.39
SMYD2 Q9NRG4 1/20 0.39
KCNA3 P22001 1/20 0.38
TAS2R8 Q9NYW2 1/20 0.38

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
SCHEMBL6773218 0.95 MCHR1 (0.47) MCHR1ADORA2ANAMPTHDAC3GRM5
SCHEMBL6773853 0.89 NOS3 (0.46) NAMPTHDAC3GAA
SCHEMBL6768596 0.88 MCHR1 (0.47) MCHR1ADORA2ANAMPTHDAC3CCR5
SCHEMBL6779684 0.86 MCHR1 (0.50) MCHR1NAMPTGAA
SCHEMBL6776742 0.86 CCR3 (0.48)
SCHEMBL6773386 0.84 TP53BP1 (0.49) NAMPTHDAC3GAA
SCHEMBL6779944 0.83 HDAC3 (0.48) HDAC3
SCHEMBL6779087 0.83 NOS3 (0.48) NAMPTHDAC3GAA
SCHEMBL6769799 0.82 MCHR1 (0.50) MCHR1ADORA2ANAMPTHDAC3GRM5
SCHEMBL6773842 0.81 SMN1; SMN2 (0.50) MCHR1

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