SCHEMBL2780460

SCHEMBL2780460

Cc1ccc(OC2CCN(C(=O)[C@@H](NC(=O)O)C(C)C)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.49
CCR1 P32246 9/20 0.47
MMP1 P03956 1/20 0.46
LIPE Q05469 2/20 0.44
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
ACACB O00763 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2776032 0.89 NAMPT (0.50) NAMPTCCR1MMP1LIPEHRH3
SCHEMBL2776856 0.89 MMP1 (0.59) NAMPTCCR1MMP1LIPEKCNH2
SCHEMBL2774358 0.88 LIPE (0.59) NAMPTMMP1LIPEHRH3
SCHEMBL2779327 0.87 DPP4 (0.46) NAMPTMMP1LIPEHRH3ACACB
SCHEMBL2774923 0.86 HRH3 (0.46) NAMPTCCR1MMP1LIPEKCNH2
SCHEMBL2775696 0.85 EPHX2 (0.53) NAMPTCCR1KCNH2KMT2A
SCHEMBL2777388 0.84 KMT2A (0.43) NAMPTCCR1KCNH2HRH3KMT2A
SCHEMBL2776784 0.84 CHRM4 (0.45) NAMPTACACB
SCHEMBL2774207 0.83 NAMPT (0.49) NAMPTMMP1LIPEHRH3
SCHEMBL2774679 0.83 EPHX2 (0.51) NAMPTCCR1KCNH2ACACB

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
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed