SCHEMBL28035769

SCHEMBL28035769

CCCCN1CCCC(C)(CC)C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 2/20 0.41
S1PR4 O95977 1/20 0.41
MAOB P27338 1/20 0.35
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 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
SCHEMBL20997551 0.80 TSHR (0.35)
SCHEMBL19476970 0.78 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4MAOB
SCHEMBL19122392 0.77 OPRM1 (0.48) S1PR1S1PR3S1PR5S1PR4EBP
SCHEMBL24316054 0.76 S1PR4 (0.34) S1PR1S1PR3S1PR5S1PR4
SCHEMBL14131261 0.76 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4EBP
SCHEMBL27097523 0.74 OPRM1 (0.43) S1PR1S1PR3S1PR5S1PR4EBP
SCHEMBL23466099 0.74 SLC22A1 (0.34)
SCHEMBL19808331 0.73 CHRM5 (0.39) SIGMAR1
SCHEMBL18506730 0.72 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4MAOB
SCHEMBL28239512 0.70 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4EBP

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-105008353-A 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC 2015-10-28 CN disclosed