SCHEMBL6773218

SCHEMBL6773218

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
ADORA2A P29274 4/20 0.42
GAA P10253 4/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
PKM P14618 4/20 0.42
HPGD P15428 4/20 0.42
POLB P06746 3/20 0.42
GRM5 P41594 1/20 0.42
NAMPT P43490 1/20 0.42
GLA P06280 3/20 0.42
HDAC3 O15379 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
KLKB1 P03952 1/20 0.38
IKBKB O14920 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
SCHEMBL6773077 0.95 MCHR1 (0.49) MCHR1ADORA2AGAAGRM5NAMPT
SCHEMBL6779087 0.89 NOS3 (0.48) GAAKDM4EALDH1A1PKMHPGD
SCHEMBL6773842 0.86 SMN1; SMN2 (0.50) MCHR1ALDH1A1HPGDPOLBMAPT
SCHEMBL6777400 0.85 CCR3 (0.45) MCHR1GAAKDM4EALDH1A1HPGD
SCHEMBL6774657 0.85 MAPT (0.49) GAAKDM4EALDH1A1PKMHPGD
SCHEMBL6780200 0.83 ALDH1A1 (0.50) GAAALDH1A1POLBNAMPTHDAC3
SCHEMBL6773853 0.83 NOS3 (0.46) GAAKDM4EALDH1A1PKMHPGD
SCHEMBL6768482 0.83 IDO1 (0.47) ALDH1A1PKMPOLBHDAC3MAPT
SCHEMBL6768596 0.82 MCHR1 (0.47) MCHR1ADORA2AGAANAMPTHDAC3
SCHEMBL6779684 0.81 MCHR1 (0.50) MCHR1GAAALDH1A1HPGDNAMPT

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