SCHEMBL13617336

SCHEMBL13617336

CC(C)N(C)c1cc(Cl)c(CCC(=O)O)cc1-c1ccc(N)c(C=N)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.33
NR1H4 Q96RI1 1/20 0.31
PTGER1 P34995 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 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
SCHEMBL13617337 0.89 NPSR1 (0.39) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL13389425 0.74 ROCK2 (0.43) FFAR4
SCHEMBL12954585 0.71 NPSR1 (0.38) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL12954583 0.69 DPP4 (0.34) FFAR4NR1H4
SCHEMBL13617334 0.65 FOS (0.42) NR1H4
SCHEMBL13389075 0.64 TRPA1 (0.41)
SCHEMBL13389126 0.64 TRPA1 (0.46) FFAR4
SCHEMBL1014143 0.63 AR (0.39)
SCHEMBL25366820 0.62 GCGR (0.39) PTGER1PTGER4PTGER3PTGER2
SCHEMBL26633707 0.60 NPSR1 (0.42) FFAR4

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-2009133831-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2009-11-05 WO disclosed