SCHEMBL13617337

SCHEMBL13617337

Cc1cc(N(C)C(C)C)c(-c2ccc(N)c(C=N)c2)cc1CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
FFAR4 Q5NUL3 1/20 0.33
BACE1 P56817 3/20 0.33
PTGER1 P34995 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
CTSD P07339 1/20 0.30
FFAR1 O14842 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
SCHEMBL13617336 0.89 FFAR4 (0.33) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL13617333 0.78 NR1H4 (0.33) FFAR4
SCHEMBL13617331 0.75 HDAC1 (0.40)
SCHEMBL13389126 0.74 TRPA1 (0.46) NPSR1FFAR4
SCHEMBL13617334 0.72 FOS (0.42) NPSR1
SCHEMBL12954586 0.67 LTB4R (0.34) FFAR4FFAR1
SCHEMBL12954587 0.65
SCHEMBL1011231 0.64 CCNC (0.40)
SCHEMBL13389425 0.64 ROCK2 (0.43) FFAR4
SCHEMBL13389074 0.63 TRPA1 (0.44) NPSR1

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