SCHEMBL1709448

SCHEMBL1709448

C/C=C(\C)CCCN(CC1CCCCC1)C1CCCC(CC(=O)O)C1c1ccc(Cl)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.32
SLC6A2 P23975 2/20 0.31
CXCR3 P49682 4/20 0.31
SIGMAR1 Q99720 2/20 0.30

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
SCHEMBL1709459 0.88 CXCR3 (0.34) FFAR4SLC6A2CXCR3
SCHEMBL1709358 0.81 DPEP1 (0.36) SLC6A2
SCHEMBL10033187 0.80 TACR3 (0.32) FFAR4SLC6A2
SCHEMBL1709359 0.79 USP30 (0.38) SLC6A2
SCHEMBL1709408 0.75 DGAT1 (0.38)
SCHEMBL1709409 0.74 POLB (0.38) SLC6A2SIGMAR1
SCHEMBL1709480 0.74 NPC1 (0.38)
SCHEMBL1709410 0.74 POLB (0.35) SLC6A2SIGMAR1
SCHEMBL1709454 0.73 SLC6A2 (0.40) FFAR4SLC6A2
SCHEMBL1709481 0.73 MDM2 (0.43) SLC6A2

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
WO-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed