SCHEMBL5048049

SCHEMBL5048049

Cc1cc(C)c(CCNC(=O)c2cccc(-c3ccc(C(Cc4cccc(C#N)c4)NC(=O)C(=O)O)cc3)c2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CTSL P07711 4/20 0.39
CTSB P07858 3/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 2/20 0.39
GPR139 Q6DWJ6 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
UTS2R Q9UKP6 4/20 0.39
SNCA P37840 1/20 0.38
ROCK2 O75116 1/20 0.38
PIN1 Q13526 1/20 0.37
CTSV O60911 2/20 0.37
CHRM3 P20309 1/20 0.36
MCHR1 Q99705 1/20 0.36
MME P08473 1/20 0.36

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
SCHEMBL5044937 0.86 F10 (0.44) CTSLCTSBCTSSCTSKGPR139
SCHEMBL5039519 0.85 UTS2R (0.48) UTS2RMCHR1MME
SCHEMBL5047059 0.83 GPR139 (0.45) CTSLCTSBCTSSCTSKGPR139
SCHEMBL6022413 0.81 GAA (0.46) GAAMAPTRAB9ANPC1SNCA
SCHEMBL5047823 0.81 GAA (0.46) GAAMAPTRAB9ANPC1SNCA
SCHEMBL5047048 0.81 EPHX2 (0.41) CTSLCTSBCTSSCTSKGPR139
SCHEMBL1851611 0.80 GAA (0.43) GAACTSLCTSSMAPTRAB9A
SCHEMBL6022596 0.72 F10 (0.49) CTSLCTSBCTSSCTSKGPR139
SCHEMBL4312857 0.71 PTGES (0.40) CTSLCTSSMAPTRAB9ANPC1
SCHEMBL5044420 0.69 GPR139 (0.46) CTSLCTSBCTSSCTSKGPR139

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed