SCHEMBL15310414

SCHEMBL15310414

NC(=O)c1cccc(CCC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.60
TNKS O95271 1/20 0.48
PARP1 P09874 1/20 0.48
OPRK1 P41145 3/20 0.48
OPRM1 P35372 3/20 0.48
OPRD1 P41143 3/20 0.48
KCNH2 Q12809 2/20 0.48
MAOB P27338 2/20 0.47
ACHE P22303 2/20 0.47
KDM1A O60341 3/20 0.45
GAA P10253 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
BCHE P06276 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL28284087 0.86 PARP14 (0.51) PARP14PARP1OPRK1OPRM1OPRD1
SCHEMBL15310435 0.85 L3MBTL3 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15310277 0.84 L3MBTL3 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15310405 0.84 ACHE (0.46) PARP14OPRM1OPRD1MAOBACHE
SCHEMBL5266309 0.84 PARP14 (0.51) PARP14TNKSPARP1OPRK1OPRM1
SCHEMBL1532900 0.83 KDM4E (0.54) PARP14MAOB
SCHEMBL27670194 0.83 PARP14 (0.47) PARP14OPRK1MAOBACHEGAA
SCHEMBL27670326 0.83 MAOB (0.48) PARP14MAOBACHEGAAGRIN2D
SCHEMBL28761901 0.82 MAOB (0.54) PARP14OPRM1OPRD1MAOBACHE
SCHEMBL27670166 0.82 MAOB (0.54) PARP14OPRK1MAOBACHEGAA

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
EP-1849773-B1 Piperazine derivatives for the treatment of urinary incontinence and pain ASTELLAS PHARMA INC (JP) 2013-10-16 EP claimed