SCHEMBL2776856

SCHEMBL2776856

CC(C)[C@H](NC(=O)O)C(=O)N1CCC(Oc2ccc(Cl)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.59
CCR1 P32246 16/20 0.48
KCNH2 Q12809 1/20 0.48
NAMPT P43490 1/20 0.48
FPR2 P25090 1/20 0.46
PROKR1 Q8TCW9 1/20 0.46
LIPE Q05469 1/20 0.44

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
SCHEMBL2780460 0.89 NAMPT (0.49) MMP1CCR1KCNH2NAMPTLIPE
SCHEMBL2776032 0.88 NAMPT (0.50) MMP1CCR1NAMPTLIPE
SCHEMBL2777053 0.86 CCR1 (0.48) MMP1CCR1KCNH2
SCHEMBL2774358 0.86 LIPE (0.59) MMP1NAMPTLIPE
SCHEMBL2779327 0.85 DPP4 (0.46) MMP1NAMPTLIPE
SCHEMBL2774923 0.84 HRH3 (0.46) MMP1CCR1KCNH2NAMPTLIPE
SCHEMBL2775119 0.84 CCR1 (0.57) CCR1KCNH2
SCHEMBL2775696 0.83 EPHX2 (0.53) CCR1KCNH2NAMPT
SCHEMBL2777388 0.83 KMT2A (0.43) CCR1KCNH2NAMPT
SCHEMBL2776784 0.82 CHRM4 (0.45) NAMPT

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