SCHEMBL27781564

SCHEMBL27781564

CCCC(C)C(C)Cn1cnc(C(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADA P00813 9/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.35
▸ OPRM1 P35372 2/20 0.34
▸ CPB1 P15086 2/20 0.34
▸ CPB2 Q96IY4 2/20 0.34

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
SCHEMBL3007255 0.81 CPB2 (0.40) CPB1CPB2
SCHEMBL6673526 0.80 ADA (0.44) ADASMYD3CPB2
SCHEMBL27781542 0.79 CPB2 (0.39) CPB1CPB2
SCHEMBL6335386 0.77 KDM5A (0.46) ADASMYD3CPB1CPB2
SCHEMBL6335415 0.76 SMYD3 (0.52) ADASMYD3CPB1CPB2
SCHEMBL27781554 0.74 CPB2 (0.47) ADASMYD3CPB1CPB2
SCHEMBL28726420 0.73 ADA (0.42) ADASMYD3
SCHEMBL28309917 0.71 ADA (0.46) ADASMYD3
SCHEMBL7657591 0.70 ADA (0.66) ADA
SCHEMBL2999032 0.69 CPB2 (0.41) CPB1CPB2

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
CN-101679293-A Urocanic acid derivatives useful for the treatment of immune-related and inflammatory diseases VALETTA HEALTH B V 2010-03-24 — — CN disclosed
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